A0A077ZDP1_TRITR Loading...

53 kDa excretory

AlphaFold DB , UniProt , Accession A0A077ZDP1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 471 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	28.4	Very low	33.2	Very low	247 Å²	247	159.6 Å²	159.6	100%	1.217	79%	0.79	S	S	*	*				0	12.7	0	-142	167.5	-179.8	0	0	114.8
2	R	28.8	Very low	33.9	Very low	231 Å²	231	163.2 Å²	163.2	87%	0.872	79%	0.788	S	S	*	*			trans	-114.1	8.5	175.4	-84.8	-174	-172.4	174.9	2.9	114.9
3	A	29.1	Very low	34.4	Very low	94 Å²	94	156.4 Å²	156.4	78%	0.777	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	1.5	-178.1	0	0	0	0	0	114.4
4	L	33.3	Very low	35.5	Very low	149 Å²	149	148.4 Å²	148.4	78%	0.78	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-5.9	179.6	-87.1	157.3	0	0	0	114.3	Q6	L4-Q6 PolarHBondContact O-N 2.91Å
5	L	32.6	Very low	36.8	Very low	143 Å²	143	145.6 Å²	145.6	75%	0.749	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-0.9	-178.2	-81.1	166.2	0	0	0	114.9
6	Q	35.3	Very low	37.9	Very low	180 Å²	180	141.4 Å²	141.4	84%	0.841	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-9.7	178.6	-109.8	174.9	-18.7	0	0	114.7	L4	L4-Q6 PolarHBondContact O-N 2.91Å
7	V	33.8	Very low	38.7	Very low	110 Å²	110	138.8 Å²	138.8	67%	0.667	70%	0.697	S	S	*	*	S	Bend	trans	-87.7	-22.2	177	-176.5	0	0	0	0	111.7	Y9	V7-Y9 VanDerWaalsContact C-N 3.32Å; V7-Y9 PolarHBondContact O-N 3.21Å
8	D	34.9	Very low	39.2	Very low	84 Å²	84	137.5 Å²	137.5	45%	0.449	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-78.2	-12.7	-173.2	-141	32	0	0	0	114.2	L10	D8-L10 VanDerWaalsContact C-N 3.29Å; D8-L10 PolarHBondContact O-N 3.24Å
9	Y	34.6	Very low	39.6	Very low	210 Å²	210	138.6 Å²	138.6	82%	0.824	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-72.6	-22	-179.2	-161.7	-98.7	0	0	0	113	V7	V7-Y9 VanDerWaalsContact C-N 3.32Å; V7-Y9 PolarHBondContact O-N 3.21Å
10	L	33.6	Very low	40.2	Very low	142 Å²	142	138.3 Å²	138.3	74%	0.743	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-87.7	-5.7	-177.4	-70.6	174.3	0	0	0	114.4	D8	D8-L10 VanDerWaalsContact C-N 3.29Å; D8-L10 PolarHBondContact O-N 3.24Å
11	Q	40.5	Very low	40.5	Very low	166 Å²	166	136 Å²	136	78%	0.776	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-101.4	11.3	-179.4	-83.1	-172	-27.2	0	0	115.1
12	R	41.6	Very low	41.2	Very low	202 Å²	202	126.9 Å²	126.9	76%	0.762	64%	0.639	S	S	*	*			trans	-123.8	25.6	177.8	-67.1	-166.9	-153.5	179.8	7.2	115.8	S14	R12-S14 PolarHBondContact O-N 2.99Å
13	L	40.6	Very low	41.9	Very low	75 Å²	75	120.4 Å²	120.4	39%	0.393	62%	0.619	S	S	.	*			trans	-76.2	120.2	164.4	-73.7	164.5	0	0	0	108.1	Q17 E18 L21	L13-Q17 HydrophobicContact CD2-CB 4.08Å; L13-E18 HydrophobicContact CB-CG 3.83Å; L13-L21 HydrophobicContact CD1-CD2 4.44Å
14	S	50.1	Low	42.8	Very low	44 Å²	44	120.4 Å²	120.4	31%	0.308	61%	0.609	S	S	.	*			trans	-67.5	152.9	172.7	70.3	0	0	0	0	109.5	R12 S16 Q17 E18	R12-S14 PolarHBondContact O-N 2.99Å; S14-S16 PolarHBondContact O-N 3.31Å; S14-S16 PolarHBondContact OG-OG 3.41Å; S14-S16 VanDerWaalsContact OG-OG 3.1Å; S14-Q17 WeakPolarHBondContact O-CA 2.89Å; S14-Q17 PolarHBondContact O-N 3.36Å; S14-Q17 WeakPolarHBondContact OG-CG 3.08Å; S14-Q17 PolarHBondContact OG-N 2.04Å; S14-E18 PolarHBondContact O-N 3.11Å
15	P	54.5	Low	43.2	Very low	107 Å²	107	117.7 Å²	117.7	70%	0.695	60%	0.595	S	S	*	*	H	α-helix	trans	-56.1	-27.4	-179.3	-27	34.4	0	0	0	113.9	K19	P15-K19 WeakPolarHBondContact O-CB 3.23Å; P15-K19 PolarHBondContact O-N 3.1Å; P15-K19 VanDerWaalsContact O-N 3.13Å
16	S	54.2	Low	43.4	Very low	79 Å²	79	118 Å²	118	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-72.4	-40.4	174.4	65.6	0	0	0	0	112.1	S14 K19 E20	S14-S16 PolarHBondContact O-N 3.31Å; S14-S16 PolarHBondContact OG-OG 3.41Å; S14-S16 VanDerWaalsContact OG-OG 3.1Å; S16-K19 PolarHBondContact O-N 2.99Å; S16-E20 WeakPolarHBondContact O-CB 3.47Å; S16-E20 PolarHBondContact O-N 3.47Å
17	Q	51.1	Low	43.7	Very low	96 Å²	96	114.7 Å²	114.7	45%	0.449	58%	0.578	S	S	.	*	H	α-helix	trans	-70.6	-35.4	176.1	-71.9	-179.8	-36.2	0	0	111.8	L13 S14 K19 L21	L13-Q17 HydrophobicContact CD2-CB 4.08Å; S14-Q17 WeakPolarHBondContact O-CA 2.89Å; S14-Q17 PolarHBondContact O-N 3.36Å; S14-Q17 WeakPolarHBondContact OG-CG 3.08Å; S14-Q17 PolarHBondContact OG-N 2.04Å; Q17-K19 VanDerWaalsContact C-N 3.3Å; Q17-K19 PolarHBondContact O-N 3.12Å; Q17-L21 WeakPolarHBondContact O-CB 3.1Å; Q17-L21 PolarHBondContact O-N 3.12Å
18	E	48	Very low	44.2	Very low	116 Å²	116	112.4 Å²	112.4	54%	0.542	58%	0.576	S	S	.	*	H	α-helix	trans	-61.8	-40.3	169.6	-76.6	-167.3	147.8	0	0	111.5	L13 S14 A22	L13-E18 HydrophobicContact CB-CG 3.83Å; S14-E18 PolarHBondContact O-N 3.11Å; E18-A22 WeakPolarHBondContact O-CB 3.08Å; E18-A22 PolarHBondContact O-N 2.64Å
19	K	47.3	Very low	44.2	Very low	158 Å²	158	113.4 Å²	113.4	69%	0.687	58%	0.577	S	S	*	*	H	α-helix	trans	-71.3	-40.2	-179.7	-151.5	178.1	-173.6	-176.4	0	112	P15 S16 Q17 A22 Q23	P15-K19 WeakPolarHBondContact O-CB 3.23Å; P15-K19 PolarHBondContact O-N 3.1Å; P15-K19 VanDerWaalsContact O-N 3.13Å; S16-K19 PolarHBondContact O-N 2.99Å; Q17-K19 VanDerWaalsContact C-N 3.3Å; Q17-K19 PolarHBondContact O-N 3.12Å; K19-A22 PolarHBondContact O-N 2.78Å; K19-Q23 VanDerWaalsContact O-CB 3.25Å; K19-Q23 WeakPolarHBondContact O-CB 3.27Å; K19-Q23 PolarHBondContact O-N 3.16Å
20	E	51.5	Low	44	Very low	133 Å²	133	105.6 Å²	105.6	62%	0.621	56%	0.56	S	S	*	*	H	α-helix	trans	-68.4	-41.6	175.4	-169.2	177	-171.1	0	0	111.5	S16 Q23 T24	S16-E20 WeakPolarHBondContact O-CB 3.47Å; S16-E20 PolarHBondContact O-N 3.47Å; E20-Q23 PolarHBondContact O-N 2.77Å; E20-T24 WeakPolarHBondContact O-CB 3.14Å; E20-T24 PolarHBondContact O-N 3.39Å; E20-T24 PolarHBondContact O-OG1 2.94Å
21	L	46.1	Very low	44.2	Very low	89 Å²	89	106.3 Å²	106.3	47%	0.466	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-45	172.6	-176.7	66.9	0	0	0	110.9	L13 Q17 Q23 T24 L25	L13-L21 HydrophobicContact CD1-CD2 4.44Å; Q17-L21 WeakPolarHBondContact O-CB 3.1Å; Q17-L21 PolarHBondContact O-N 3.12Å; L21-Q23 VanDerWaalsContact C-N 3.3Å; L21-Q23 PolarHBondContact O-N 2.83Å; L21-T24 PolarHBondContact O-N 2.72Å; L21-L25 HydrophobicContact CD1-CD1 4.28Å; L21-L25 HydrophobicContact CD1-CG 4.4Å; L21-L25 HydrophobicContact CG-CD1 3.87Å; L21-L25 HydrophobicContact CG-CG 4.4Å; L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CD1 3.49Å; L21-L25 WeakPolarHBondContact O-CG 3.24Å; L21-L25 PolarHBondContact O-N 3.23Å
22	A	44.5	Very low	44.1	Very low	56 Å²	56	103 Å²	103	46%	0.463	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-37.4	176.4	0	0	0	0	0	111.8	E18 K19 L25 K26	E18-A22 WeakPolarHBondContact O-CB 3.08Å; E18-A22 PolarHBondContact O-N 2.64Å; K19-A22 PolarHBondContact O-N 2.78Å; A22-L25 CarbonylContact O-C 3.58Å; A22-K26 VanDerWaalsContact O-CB 3.26Å; A22-K26 WeakPolarHBondContact O-CB 3.48Å; A22-K26 PolarHBondContact O-N 3.24Å
23	Q	43.1	Very low	43.5	Very low	96 Å²	96	98.5 Å²	98.5	45%	0.449	53%	0.534	S	S	.	.	H	α-helix	trans	-71.6	-42.9	177.1	-163.9	69.6	32.3	0	0	111.3	K19 E20 L21 L25 K26 D27	K19-Q23 VanDerWaalsContact O-CB 3.25Å; K19-Q23 WeakPolarHBondContact O-CB 3.27Å; K19-Q23 PolarHBondContact O-N 3.16Å; E20-Q23 PolarHBondContact O-N 2.77Å; L21-Q23 VanDerWaalsContact C-N 3.3Å; L21-Q23 PolarHBondContact O-N 2.83Å; Q23-L25 VanDerWaalsContact C-N 3.3Å; Q23-L25 PolarHBondContact O-N 2.85Å; Q23-K26 WeakPolarHBondContact O-CA 3.41Å; Q23-K26 WeakPolarHBondContact O-CB 3.43Å; Q23-K26 PolarHBondContact O-N 3.29Å; Q23-D27 PolarHBondContact NE2-OD1 3.24Å; Q23-D27 VanDerWaalsContact O-CG 3.3Å; Q23-D27 PolarHBondContact O-N 2.84Å
24	T	46.8	Very low	43.1	Very low	93 Å²	93	98.6 Å²	98.6	57%	0.571	54%	0.539	S	S	*	.	H	α-helix	trans	-62.9	-38.7	174.5	-50.4	0	0	0	0	111.1	E20 L21 K26 G28	E20-T24 WeakPolarHBondContact O-CB 3.14Å; E20-T24 PolarHBondContact O-N 3.39Å; E20-T24 PolarHBondContact O-OG1 2.94Å; L21-T24 PolarHBondContact O-N 2.72Å; T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 3.31Å; T24-G28 PolarHBondContact O-N 2.87Å; T24-G28 VanDerWaalsContact O-N 3.15Å
25	L	42.2	Very low	41.9	Very low	93 Å²	93	101 Å²	101	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-71.3	-17.9	171.7	-71.9	170	0	0	0	113	L21 A22 Q23 F29	L21-L25 HydrophobicContact CD1-CD1 4.28Å; L21-L25 HydrophobicContact CD1-CG 4.4Å; L21-L25 HydrophobicContact CG-CD1 3.87Å; L21-L25 HydrophobicContact CG-CG 4.4Å; L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CD1 3.49Å; L21-L25 WeakPolarHBondContact O-CG 3.24Å; L21-L25 PolarHBondContact O-N 3.23Å; A22-L25 CarbonylContact O-C 3.58Å; Q23-L25 VanDerWaalsContact C-N 3.3Å; Q23-L25 PolarHBondContact O-N 2.85Å; L25-F29 HydrophobicContact CD2-CE2 3.87Å; L25-F29 WeakPolarHBondContact O-CD2 3.47Å
26	K	37.1	Very low	41	Very low	149 Å²	149	101.3 Å²	101.3	65%	0.648	55%	0.549	S	S	*	.	H	α-helix	trans	-89.5	-39.8	177.7	-155.7	177.1	-175.6	-171.9	0	111.2	A22 Q23 T24	A22-K26 VanDerWaalsContact O-CB 3.26Å; A22-K26 WeakPolarHBondContact O-CB 3.48Å; A22-K26 PolarHBondContact O-N 3.24Å; Q23-K26 WeakPolarHBondContact O-CA 3.41Å; Q23-K26 WeakPolarHBondContact O-CB 3.43Å; Q23-K26 PolarHBondContact O-N 3.29Å; T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 3.31Å
27	D	41	Very low	40	Very low	111 Å²	111	104.8 Å²	104.8	59%	0.594	56%	0.556	S	S	*	*	H	α-helix	trans	-78.5	-30.4	-176.5	-62.5	-18.3	0	0	0	111.7	Q23	Q23-D27 PolarHBondContact NE2-OD1 3.24Å; Q23-D27 VanDerWaalsContact O-CG 3.3Å; Q23-D27 PolarHBondContact O-N 2.84Å
28	G	43.9	Very low	38.8	Very low	61 Å²	61	111 Å²	111	63%	0.629	58%	0.576	S	S	*	*	S	Bend	trans	-77	-17.2	177.1	0	0	0	0	0	115.6	T24	T24-G28 PolarHBondContact O-N 2.87Å; T24-G28 VanDerWaalsContact O-N 3.15Å
29	F	36.8	Very low	38.3	Very low	105 Å²	105	109.5 Å²	109.5	46%	0.461	58%	0.576	S	S	.	*	S	Bend	trans	-105.6	-5	-173.2	-76.4	-95.9	0	0	0	114	L25 E31 H370	L25-F29 HydrophobicContact CD2-CE2 3.87Å; L25-F29 WeakPolarHBondContact O-CD2 3.47Å; F29-E31 VanDerWaalsContact C-N 3.26Å; F29-E31 PolarHBondContact O-N 3.32Å; F29-H370 HydrophobicContact CE1-CB 4.17Å; F29-H370 HydrophobicContact CZ-CB 4.39Å
30	G	30.4	Very low	37.7	Very low	46 Å²	46	107 Å²	107	47%	0.474	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.4	-18	-175.8	0	0	0	0	0	115.4
31	E	37.1	Very low	36.9	Very low	158 Å²	158	111.7 Å²	111.7	74%	0.738	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-19.1	-172.9	-71.1	-164.3	157.4	0	0	115.7	F29	F29-E31 VanDerWaalsContact C-N 3.26Å; F29-E31 PolarHBondContact O-N 3.32Å
32	F	37.5	Very low	36.7	Very low	95 Å²	95	111.6 Å²	111.6	42%	0.417	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.3	-14.2	-170.1	-66.9	-65.5	0	0	0	117.1	T293 E294	F32-T293 VanDerWaalsContact CZ-O 3.26Å; F32-T293 WeakPolarHBondContact CZ-O 3.26Å; F32-E294 HydrophobicContact CE1-CB 4.28Å; F32-E294 HydrophobicContact CE1-CG 4.2Å
33	L	30	Very low	36.7	Very low	108 Å²	108	116.2 Å²	116.2	57%	0.565	60%	0.595	S	S	*	*	S	Bend	trans	-129.3	124.1	166.7	-65	171.5	0	0	0	105.3
34	P	31	Very low	37.1	Very low	77 Å²	77	121.3 Å²	121.3	50%	0.5	62%	0.616	S	S	.	*			trans	-49.1	134.8	171.7	21.7	-31.7	0	0	0	106.9	L36 S170	P34-L36 PolarHBondContact O-N 3.21Å; P34-S170 WeakPolarHBondContact CG-OG 3.42Å
35	P	25.8	Very low	37.5	Very low	96 Å²	96	118.4 Å²	118.4	62%	0.623	60%	0.604	S	S	*	*			trans	-44.7	115.5	-177.4	-27.7	32.6	0	0	0	108.5	E37	P35-E37 PolarHBondContact O-N 3.07Å
36	L	35.4	Very low	38.6	Very low	113 Å²	113	118 Å²	118	59%	0.592	60%	0.602	S	S	*	*			trans	-68.8	80	158.9	-85	153.2	0	0	0	103.8	P34 R38	P34-L36 PolarHBondContact O-N 3.21Å; L36-R38 PolarHBondContact O-N 3.42Å
37	E	33	Very low	40.3	Very low	152 Å²	152	121.3 Å²	121.3	71%	0.71	62%	0.616	S	S	*	*			trans	-45.2	119.6	145.9	-77.8	-168.4	163.8	0	0	104.3	P35	P35-E37 PolarHBondContact O-N 3.07Å
38	R	26.6	Very low	42.3	Very low	226 Å²	226	117.6 Å²	117.6	85%	0.853	59%	0.594	S	S	*	*			trans	-39.9	119.9	174.3	-67.1	177.6	-171.6	172.7	2	105	L36 T40	L36-R38 PolarHBondContact O-N 3.42Å; R38-T40 VanDerWaalsContact C-N 3.33Å; R38-T40 WeakPolarHBondContact O-CA 3.29Å; R38-T40 PolarHBondContact O-N 3.1Å
39	P	36.7	Very low	44.4	Very low	85 Å²	85	118.7 Å²	118.7	55%	0.552	59%	0.585	S	S	*	*			trans	-48.4	112	-176.8	16.7	-28.9	0	0	0	104.4	R41	P39-R41 WeakPolarHBondContact O-CA 3.18Å; P39-R41 PolarHBondContact O-N 3.21Å
40	T	35.2	Very low	46.9	Very low	105 Å²	105	119 Å²	119	64%	0.644	59%	0.592	S	S	*	*			trans	-62.3	94.6	-167.5	-31.8	0	0	0	0	102.8	R38 H42	R38-T40 VanDerWaalsContact C-N 3.33Å; R38-T40 WeakPolarHBondContact O-CA 3.29Å; R38-T40 PolarHBondContact O-N 3.1Å; T40-H42 VanDerWaalsContact C-N 3.25Å; T40-H42 WeakPolarHBondContact O-CA 3.41Å; T40-H42 PolarHBondContact O-N 3.03Å
41	R	34.1	Very low	49.7	Very low	231 Å²	231	124.5 Å²	124.5	87%	0.872	61%	0.605	S	S	*	*			trans	-18.2	90.5	-159	172.9	-167.7	-70.6	-174.8	-4.1	108.1	P39 E43	P39-R41 WeakPolarHBondContact O-CA 3.18Å; P39-R41 PolarHBondContact O-N 3.21Å; R41-E43 PolarHBondContact O-N 3.26Å
42	H	43.4	Very low	52.4	Low	87 Å²	87	122.1 Å²	122.1	40%	0.403	59%	0.593	S	S	.	*			trans	-55.6	110.6	-159.6	-81.1	-56.6	0	0	0	106	T40 K44	T40-H42 VanDerWaalsContact C-N 3.25Å; T40-H42 WeakPolarHBondContact O-CA 3.41Å; T40-H42 PolarHBondContact O-N 3.03Å; H42-K44 PolarHBondContact O-N 2.76Å
43	E	44.1	Very low	55	Low	154 Å²	154	119.2 Å²	119.2	72%	0.72	58%	0.58	S	S	*	*			trans	-55.9	121.5	-175.8	-75.8	-177.3	152.8	0	0	104.2	R41 G45	R41-E43 PolarHBondContact O-N 3.26Å; E43-G45 PolarHBondContact O-N 2.85Å
44	K	51.5	Low	58.1	Low	203 Å²	203	117.8 Å²	117.8	88%	0.883	57%	0.57	S	S	*	*			trans	-37.9	122.8	168.1	-85.6	-177.1	172.5	-177.7	0	106.1	H42 L46	H42-K44 PolarHBondContact O-N 2.76Å; K44-L46 PolarHBondContact O-N 3.42Å
45	G	55.4	Low	61.2	Low	31 Å²	31	119.5 Å²	119.5	32%	0.32	57%	0.57	S	S	.	*			trans	-41.7	138.1	-169.6	0	0	0	0	0	111	E43 K47 I84	E43-G45 PolarHBondContact O-N 2.85Å; G45-K47 PolarHBondContact O-N 2.9Å; G45-I84 WeakPolarHBondContact CA-O 3.41Å
46	L	65.4	Low	64.5	Low	84 Å²	84	114.9 Å²	114.9	44%	0.44	54%	0.54	S	S	.	.			trans	-43.1	133.1	-176	-85	140.3	0	0	0	110.3	K44 W48 I84 H91	K44-L46 PolarHBondContact O-N 3.42Å; L46-W48 PolarHBondContact O-N 2.82Å; L46-I84 HydrophobicContact CB-CB 4.4Å; L46-I84 HydrophobicContact CD1-CG2 3.97Å; L46-H91 WeakPolarHBondContact CD1-CE1 3.19Å; L46-H91 WeakPolarHBondContact CD1-ND1 3.36Å
47	K	71.7	Confident	67.4	Low	220 Å²	220	109.5 Å²	109.5	96%	0.957	51%	0.512	S	S	*	.			trans	-52.6	108.9	176.8	-81.8	-172.6	176.7	-178.2	0	108.7	G45	G45-K47 PolarHBondContact O-N 2.9Å
48	W	82.9	Confident	70.4	Confident	32 Å²	32	107.3 Å²	107.3	12%	0.121	50%	0.497	C	S	.	.			trans	-114.5	110.9	-177.9	-170.3	8.8	0	0	0	108.4	L46 D50 K53 A56 I84 A93 L95 L130	L46-W48 PolarHBondContact O-N 2.82Å; W48-D50 PolarHBondContact O-N 3.18Å; W48-K53 HydrophobicContact CD2-CB 3.95Å; W48-K53 HydrophobicContact CD2-CG 3.91Å; W48-K53 HydrophobicContact CE3-CB 4.38Å; W48-K53 HydrophobicContact CE3-CD 4.47Å; W48-K53 HydrophobicContact CE3-CG 3.81Å; W48-K53 HydrophobicContact CG-CB 4.24Å; W48-K53 HydrophobicContact CH2-CG 4.31Å; W48-K53 HydrophobicContact CZ2-CB 4.38Å; W48-K53 HydrophobicContact CZ2-CG 4.37Å; W48-K53 HydrophobicContact CZ3-CG 4.03Å; W48-A56 HydrophobicContact CH2-CB 4.2Å; W48-A56 HydrophobicContact CZ2-CB 3.66Å; W48-I84 HydrophobicContact CB-CD1 4.36Å; W48-I84 HydrophobicContact CD2-CD1 3.81Å; W48-I84 HydrophobicContact CD2-CG1 3.92Å; W48-I84 HydrophobicContact CE3-CD1 4.03Å; W48-I84 HydrophobicContact CE3-CG1 3.59Å; W48-I84 HydrophobicContact CG-CD1 3.99Å; W48-I84 HydrophobicContact CG-CG1 4.46Å; W48-I84 HydrophobicContact CH2-CG1 4.48Å; W48-I84 HydrophobicContact CZ3-CG1 3.89Å; W48-A93 HydrophobicContact CH2-CB 3.85Å; W48-A93 HydrophobicContact CZ3-CB 4.04Å; W48-L95 HydrophobicContact CH2-CD2 3.77Å; W48-L95 HydrophobicContact CZ3-CD2 3.87Å; W48-L130 HydrophobicContact CH2-CD1 3.49Å; W48-L130 VanDerWaalsContact CH2-CD1 3.49Å; W48-L130 HydrophobicContact CZ2-CD1 3.48Å; W48-L130 VanDerWaalsContact CZ2-CD1 3.48Å
49	D	89.2	Confident	73.8	Confident	84 Å²	84	98.2 Å²	98.2	45%	0.449	47%	0.465	S	S	.	.			trans	-49.4	132.7	177.2	171.4	74.5	0	0	0	112	Q51 K52 K53	D49-Q51 PolarHBondContact O-N 2.92Å; D49-Q51 WeakPolarHBondContact OD2-CB 3.4Å; D49-Q51 PolarHBondContact OD2-N 3.44Å; D49-K52 HydrophobicContact CB-CB 4.22Å; D49-K52 HydrophobicContact CB-CD 4.19Å; D49-K52 HydrophobicContact CB-CG 4.26Å; D49-K52 PolarHBondContact O-N 3.25Å; D49-K52 WeakPolarHBondContact OD2-CG 3.42Å; D49-K52 PolarHBondContact OD2-N 3.38Å; D49-K53 VanDerWaalsContact O-CB 3.29Å; D49-K53 WeakPolarHBondContact O-CB 3.11Å; D49-K53 PolarHBondContact O-N 2.89Å
50	D	87.8	Confident	76.6	Confident	112 Å²	112	94.2 Å²	94.2	60%	0.599	44%	0.439	S	S	*	.	H	α-helix	trans	-66.8	-34.8	-171.5	-71.2	-36.1	0	0	0	112.8	W48 K53 E54	W48-D50 PolarHBondContact O-N 3.18Å; D50-K53 WeakPolarHBondContact O-CB 3.43Å; D50-K53 PolarHBondContact O-N 2.75Å; D50-K53 IonicContact OD1-NZ 3.93Å; D50-K53 PolarHBondContact OD1-NZ 2.96Å; D50-E54 PolarHBondContact O-N 3.33Å
51	Q	90.5	Very high	79.5	Confident	161 Å²	161	89.6 Å²	89.6	75%	0.752	41%	0.41	S	S	*	.	H	α-helix	trans	-67.1	-44.6	176	-66.6	-172.5	-15.4	0	0	111.1	D49 K53 E54 K55	D49-Q51 PolarHBondContact O-N 2.92Å; D49-Q51 WeakPolarHBondContact OD2-CB 3.4Å; D49-Q51 PolarHBondContact OD2-N 3.44Å; Q51-K53 VanDerWaalsContact C-N 3.3Å; Q51-K53 PolarHBondContact O-N 3.49Å; Q51-E54 PolarHBondContact O-N 3.29Å; Q51-K55 WeakPolarHBondContact O-CB 3.47Å; Q51-K55 PolarHBondContact O-N 3.39Å
52	K	92.6	Very high	82.4	Confident	109 Å²	109	83.1 Å²	83.1	47%	0.474	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-39.7	174.4	-71.8	-176.8	176.4	-166.8	0	112	D49 K55 A56 E133	D49-K52 HydrophobicContact CB-CB 4.22Å; D49-K52 HydrophobicContact CB-CD 4.19Å; D49-K52 HydrophobicContact CB-CG 4.26Å; D49-K52 PolarHBondContact O-N 3.25Å; D49-K52 WeakPolarHBondContact OD2-CG 3.42Å; D49-K52 PolarHBondContact OD2-N 3.38Å; K52-K55 PolarHBondContact O-N 2.9Å; K52-A56 WeakPolarHBondContact O-CB 3.47Å; K52-A56 PolarHBondContact O-N 2.84Å; K52-E133 HydrophobicContact CB-CG 4.1Å; K52-E133 WeakPolarHBondContact CD-OE1 3.34Å; K52-E133 HydrophobicContact CG-CG 4.46Å
53	K	92.7	Very high	84.8	Confident	34 Å²	34	81 Å²	81	15%	0.148	39%	0.386	C	S	.	.	H	α-helix	trans	-63.3	-46.8	177.9	-170.9	-165.6	-67.3	162.6	0	111.6	W48 D49 D50 Q51 A56 A57 L79 G82	W48-K53 HydrophobicContact CD2-CB 3.95Å; W48-K53 HydrophobicContact CD2-CG 3.91Å; W48-K53 HydrophobicContact CE3-CB 4.38Å; W48-K53 HydrophobicContact CE3-CD 4.47Å; W48-K53 HydrophobicContact CE3-CG 3.81Å; W48-K53 HydrophobicContact CG-CB 4.24Å; W48-K53 HydrophobicContact CH2-CG 4.31Å; W48-K53 HydrophobicContact CZ2-CB 4.38Å; W48-K53 HydrophobicContact CZ2-CG 4.37Å; W48-K53 HydrophobicContact CZ3-CG 4.03Å; D49-K53 VanDerWaalsContact O-CB 3.29Å; D49-K53 WeakPolarHBondContact O-CB 3.11Å; D49-K53 PolarHBondContact O-N 2.89Å; D50-K53 WeakPolarHBondContact O-CB 3.43Å; D50-K53 PolarHBondContact O-N 2.75Å; D50-K53 IonicContact OD1-NZ 3.93Å; D50-K53 PolarHBondContact OD1-NZ 2.96Å; Q51-K53 VanDerWaalsContact C-N 3.3Å; Q51-K53 PolarHBondContact O-N 3.49Å; K53-A56 PolarHBondContact O-N 3.2Å; K53-A57 PolarHBondContact O-N 3.04Å; K53-L79 HydrophobicContact CB-CD2 4.39Å; K53-L79 HydrophobicContact CD-CD2 3.69Å; K53-L79 HydrophobicContact CG-CD2 3.54Å; K53-G82 WeakPolarHBondContact CD-O 3.3Å; K53-G82 WeakPolarHBondContact CE-O 3.26Å
54	E	94.4	Very high	87.1	Confident	78 Å²	78	73.8 Å²	73.8	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-40.3	176.8	-171	172.9	159.7	0	0	112.1	D50 Q51 A56 A57 R58 F76	D50-E54 PolarHBondContact O-N 3.33Å; Q51-E54 PolarHBondContact O-N 3.29Å; E54-A56 VanDerWaalsContact C-N 3.34Å; E54-A56 PolarHBondContact O-N 2.93Å; E54-A57 PolarHBondContact O-N 3.22Å; E54-R58 WeakPolarHBondContact O-CG 3.19Å; E54-R58 PolarHBondContact O-N 3.24Å; E54-R58 IonicContact OE1-CZ 2.77Å; E54-R58 IonicContact OE1-NE 3.42Å; E54-R58 PolarHBondContact OE1-NE 2.98Å; E54-R58 IonicContact OE1-NH2 3.39Å; E54-R58 PolarHBondContact OE1-NH2 3.43Å; E54-F76 HydrophobicContact CG-CZ 4.43Å
55	K	95.9	Very high	89.1	Confident	112 Å²	112	64.2 Å²	64.2	49%	0.487	31%	0.311	S	S	.	.	H	α-helix	trans	-58.2	-46.4	173	-175.9	-175.8	178.5	-168.1	0	111.3	Q51 K52 A57 R58 N59 E133	Q51-K55 WeakPolarHBondContact O-CB 3.47Å; Q51-K55 PolarHBondContact O-N 3.39Å; K52-K55 PolarHBondContact O-N 2.9Å; K55-A57 VanDerWaalsContact C-N 3.32Å; K55-A57 PolarHBondContact O-N 2.94Å; K55-R58 PolarHBondContact O-N 3.34Å; K55-N59 VanDerWaalsContact O-CG 3.27Å; K55-N59 PolarHBondContact O-N 2.81Å; K55-N59 PolarHBondContact O-ND2 3.27Å; K55-E133 HydrophobicContact CD-CB 4.48Å
56	A	95.9	Very high	90.8	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60	-42.6	176.2	0	0	0	0	0	111.9	W48 K52 K53 E54 R58 N59 V60 L130 E133	W48-A56 HydrophobicContact CH2-CB 4.2Å; W48-A56 HydrophobicContact CZ2-CB 3.66Å; K52-A56 WeakPolarHBondContact O-CB 3.47Å; K52-A56 PolarHBondContact O-N 2.84Å; K53-A56 PolarHBondContact O-N 3.2Å; E54-A56 VanDerWaalsContact C-N 3.34Å; E54-A56 PolarHBondContact O-N 2.93Å; A56-R58 PolarHBondContact O-N 3.32Å; A56-N59 PolarHBondContact O-N 3.33Å; A56-V60 WeakPolarHBondContact O-CB 3.45Å; A56-V60 VanDerWaalsContact O-CG2 3.26Å; A56-V60 WeakPolarHBondContact O-CG2 2.97Å; A56-V60 PolarHBondContact O-N 3Å; A56-L130 HydrophobicContact CB-CD1 3.86Å; A56-E133 WeakPolarHBondContact CA-O 3.45Å; A56-E133 HydrophobicContact CB-CB 4.09Å; A56-E133 HydrophobicContact CB-CG 4.49Å
57	A	96.9	Very high	91.9	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-42.3	176.8	0	0	0	0	0	113.1	K53 E54 K55 V60 F61 F76 L79 L95 M97	K53-A57 PolarHBondContact O-N 3.04Å; E54-A57 PolarHBondContact O-N 3.22Å; K55-A57 VanDerWaalsContact C-N 3.32Å; K55-A57 PolarHBondContact O-N 2.94Å; A57-V60 PolarHBondContact O-N 2.94Å; A57-F61 WeakPolarHBondContact O-CB 3.38Å; A57-F61 PolarHBondContact O-N 2.95Å; A57-F76 HydrophobicContact CB-CE2 3.89Å; A57-F76 HydrophobicContact CB-CZ 4.21Å; A57-L79 HydrophobicContact CB-CB 4.25Å; A57-L79 HydrophobicContact CB-CD1 3.76Å; A57-L79 HydrophobicContact CB-CD2 4.18Å; A57-L79 HydrophobicContact CB-CG 4.29Å; A57-L95 HydrophobicContact CB-CD1 4.27Å; A57-M97 HydrophobicContact CB-CE 4.45Å
58	R	96.5	Very high	92.5	Very high	106 Å²	106	63.1 Å²	63.1	40%	0.4	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-43.9	174.5	-70.5	172.2	-176.6	-83.7	-1.2	111.6	E54 K55 A56 F61 N62 F76	E54-R58 WeakPolarHBondContact O-CG 3.19Å; E54-R58 PolarHBondContact O-N 3.24Å; E54-R58 IonicContact OE1-CZ 2.77Å; E54-R58 IonicContact OE1-NE 3.42Å; E54-R58 PolarHBondContact OE1-NE 2.98Å; E54-R58 IonicContact OE1-NH2 3.39Å; E54-R58 PolarHBondContact OE1-NH2 3.43Å; K55-R58 PolarHBondContact O-N 3.34Å; A56-R58 PolarHBondContact O-N 3.32Å; R58-F61 PolarHBondContact O-N 3.33Å; R58-N62 WeakPolarHBondContact O-CB 3.4Å; R58-N62 PolarHBondContact O-N 2.72Å; R58-N62 PolarHBondContact O-ND2 3.42Å; R58-F76 HydrophobicContact CG-CD1 3.68Å; R58-F76 HydrophobicContact CG-CD2 4.3Å; R58-F76 HydrophobicContact CG-CE1 3.69Å; R58-F76 HydrophobicContact CG-CE2 4.31Å; R58-F76 HydrophobicContact CG-CG 3.98Å; R58-F76 HydrophobicContact CG-CZ 4Å
59	N	96.5	Very high	92.7	Very high	35 Å²	35	68.4 Å²	68.4	19%	0.187	33%	0.334	C	S	.	.	H	α-helix	trans	-63.5	-46.5	177.6	-70.8	-15.4	0	0	0	111.7	K55 A56 F61 N62 T63 E133 N134	K55-N59 VanDerWaalsContact O-CG 3.27Å; K55-N59 PolarHBondContact O-N 2.81Å; K55-N59 PolarHBondContact O-ND2 3.27Å; A56-N59 PolarHBondContact O-N 3.33Å; N59-F61 PolarHBondContact O-N 3.23Å; N59-N62 PolarHBondContact O-N 3.44Å; N59-T63 PolarHBondContact O-N 2.81Å; N59-T63 PolarHBondContact O-OG1 3.33Å; N59-E133 WeakPolarHBondContact CB-O 3.42Å; N59-E133 PolarHBondContact ND2-O 3.41Å; N59-N134 PolarHBondContact ND2-OD1 2.76Å
60	V	96.7	Very high	92.5	Very high	1 Å²	1	65 Å²	65	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-47.3	174.9	166.4	0	0	0	0	110.6	A56 A57 N62 T63 L64 L95 M97 W126 L130 Q135	A56-V60 WeakPolarHBondContact O-CB 3.45Å; A56-V60 VanDerWaalsContact O-CG2 3.26Å; A56-V60 WeakPolarHBondContact O-CG2 2.97Å; A56-V60 PolarHBondContact O-N 3Å; A57-V60 PolarHBondContact O-N 2.94Å; V60-N62 VanDerWaalsContact C-N 3.35Å; V60-N62 PolarHBondContact O-N 3.18Å; V60-T63 PolarHBondContact O-N 3Å; V60-L64 HydrophobicContact CG1-CD1 4.05Å; V60-L64 HydrophobicContact CG1-CG 4.38Å; V60-L64 WeakPolarHBondContact O-CG 3.45Å; V60-L64 PolarHBondContact O-N 3.12Å; V60-L95 HydrophobicContact CB-CD1 4.17Å; V60-L95 HydrophobicContact CG1-CD1 4.35Å; V60-L95 HydrophobicContact CG2-CD1 3.91Å; V60-M97 HydrophobicContact CG1-CE 4.01Å; V60-W126 HydrophobicContact CG1-CB 4.05Å; V60-W126 HydrophobicContact CG1-CD2 3.56Å; V60-W126 HydrophobicContact CG1-CE3 4.16Å; V60-W126 HydrophobicContact CG1-CG 3.49Å; V60-W126 VanDerWaalsContact CG1-CG 3.49Å; V60-W126 HydrophobicContact CG2-CD2 4.22Å; V60-W126 HydrophobicContact CG2-CE3 4.2Å; V60-W126 HydrophobicContact CG2-CH2 4.11Å; V60-W126 HydrophobicContact CG2-CZ2 4.16Å; V60-W126 HydrophobicContact CG2-CZ3 4.13Å; V60-L130 HydrophobicContact CG2-CD2 3.95Å; V60-Q135 HydrophobicContact CG2-CB 4.21Å
61	F	96	Very high	92	Very high	7 Å²	7	67.5 Å²	67.5	3%	0.031	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-45.1	176.6	173.5	-104.4	0	0	0	111.9	A57 R58 N59 T63 L64 A65 F76 M97 I99	A57-F61 WeakPolarHBondContact O-CB 3.38Å; A57-F61 PolarHBondContact O-N 2.95Å; R58-F61 PolarHBondContact O-N 3.33Å; N59-F61 PolarHBondContact O-N 3.23Å; F61-T63 VanDerWaalsContact C-N 3.26Å; F61-T63 PolarHBondContact O-N 3.29Å; F61-L64 PolarHBondContact O-N 3.17Å; F61-A65 HydrophobicContact CE1-CB 4.15Å; F61-A65 HydrophobicContact CE2-CB 4.24Å; F61-A65 HydrophobicContact CZ-CB 3.96Å; F61-A65 VanDerWaalsContact O-CB 3.24Å; F61-A65 WeakPolarHBondContact O-CB 3.4Å; F61-A65 PolarHBondContact O-N 3.37Å; F61-F76 HydrophobicContact CB-CB 4.49Å; F61-F76 HydrophobicContact CB-CD2 4.09Å; F61-F76 HydrophobicContact CD1-CB 3.66Å; F61-F76 HydrophobicContact CE1-CB 4.16Å; F61-F76 VanDerWaalsContact CE1-N 3.25Å; F61-F76 HydrophobicContact CG-CB 4.12Å; F61-F76 HydrophobicContact CG-CD2 4.42Å; F61-M97 HydrophobicContact CB-SD 3.91Å; F61-I99 HydrophobicContact CD2-CG2 3.65Å; F61-I99 HydrophobicContact CE2-CB 4.11Å; F61-I99 HydrophobicContact CE2-CD1 3.69Å; F61-I99 HydrophobicContact CE2-CG2 3.63Å; F61-I99 HydrophobicContact CG-CG2 4.42Å; F61-I99 HydrophobicContact CZ-CD1 4.45Å; F61-I99 HydrophobicContact CZ-CG2 4.36Å
62	N	94.6	Very high	91.4	Very high	95 Å²	95	63.6 Å²	63.6	51%	0.508	32%	0.316	S	S	.	.	H	α-helix	trans	-59.5	-39.3	178.3	-73.1	-25.5	0	0	0	111.8	R58 N59 V60 K66	R58-N62 WeakPolarHBondContact O-CB 3.4Å; R58-N62 PolarHBondContact O-N 2.72Å; R58-N62 PolarHBondContact O-ND2 3.42Å; N59-N62 PolarHBondContact O-N 3.44Å; V60-N62 VanDerWaalsContact C-N 3.35Å; V60-N62 PolarHBondContact O-N 3.18Å; N62-K66 WeakPolarHBondContact O-CB 3.41Å; N62-K66 PolarHBondContact O-N 2.79Å; N62-K66 VanDerWaalsContact O-N 3.07Å
63	T	93.5	Very high	91.1	Very high	44 Å²	44	62 Å²	62	27%	0.27	31%	0.311	S	S	.	.	H	α-helix	trans	-66.4	-47	174.3	-58	0	0	0	0	111.8	N59 V60 F61 A65 K66 S67 Q135	N59-T63 PolarHBondContact O-N 2.81Å; N59-T63 PolarHBondContact O-OG1 3.33Å; V60-T63 PolarHBondContact O-N 3Å; F61-T63 VanDerWaalsContact C-N 3.26Å; F61-T63 PolarHBondContact O-N 3.29Å; T63-A65 VanDerWaalsContact C-N 3.32Å; T63-A65 PolarHBondContact O-N 2.97Å; T63-K66 PolarHBondContact O-N 2.71Å; T63-S67 WeakPolarHBondContact O-CB 3.32Å; T63-S67 PolarHBondContact O-N 3.27Å; T63-S67 PolarHBondContact O-OG 2.85Å; T63-S67 VanDerWaalsContact O-OG 3.1Å; T63-Q135 VanDerWaalsContact CG2-OE1 3.24Å
64	L	93.7	Very high	91	Very high	2 Å²	2	62 Å²	62	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-43.5	176.1	-68.7	176.2	0	0	0	111.6	V60 F61 K66 S67 F68 I138 A141 I191	V60-L64 HydrophobicContact CG1-CD1 4.05Å; V60-L64 HydrophobicContact CG1-CG 4.38Å; V60-L64 WeakPolarHBondContact O-CG 3.45Å; V60-L64 PolarHBondContact O-N 3.12Å; F61-L64 PolarHBondContact O-N 3.17Å; L64-K66 PolarHBondContact O-N 3.26Å; L64-S67 PolarHBondContact O-N 2.81Å; L64-F68 HydrophobicContact CB-CD2 4.49Å; L64-F68 HydrophobicContact CD2-CD2 4.04Å; L64-F68 HydrophobicContact CD2-CE2 3.76Å; L64-F68 WeakPolarHBondContact O-CB 3.44Å; L64-F68 WeakPolarHBondContact O-CD2 3.47Å; L64-F68 PolarHBondContact O-N 3.44Å; L64-I138 HydrophobicContact CD2-CD1 4.13Å; L64-A141 HydrophobicContact CD1-CB 4.36Å; L64-A141 HydrophobicContact CD2-CB 3.77Å; L64-I191 HydrophobicContact CB-CD1 4.07Å; L64-I191 HydrophobicContact CD1-CD1 4.47Å; L64-I191 HydrophobicContact CD2-CD1 4.33Å
65	A	92.4	Very high	90.8	Very high	1 Å²	1	60 Å²	60	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-30.9	179.6	0	0	0	0	0	112.5	F61 T63 N69 L70 K71	F61-A65 HydrophobicContact CE1-CB 4.15Å; F61-A65 HydrophobicContact CE2-CB 4.24Å; F61-A65 HydrophobicContact CZ-CB 3.96Å; F61-A65 VanDerWaalsContact O-CB 3.24Å; F61-A65 WeakPolarHBondContact O-CB 3.4Å; F61-A65 PolarHBondContact O-N 3.37Å; T63-A65 VanDerWaalsContact C-N 3.32Å; T63-A65 PolarHBondContact O-N 2.97Å; A65-N69 CarbonylContact O-C 3.55Å; A65-N69 WeakPolarHBondContact O-CA 3.49Å; A65-N69 PolarHBondContact O-N 2.95Å; A65-L70 HydrophobicContact CB-CB 4.1Å; A65-L70 PolarHBondContact O-N 3.3Å; A65-K71 HydrophobicContact CB-CB 4.18Å; A65-K71 PolarHBondContact O-N 2.79Å
66	K	90.9	Very high	90.7	Very high	167 Å²	167	56 Å²	56	73%	0.726	29%	0.29	S	S	*	.	H	α-helix	trans	-74.7	-48.4	171.4	-173.5	-179.2	177.3	-175.8	0	111.7	N62 T63 L64 F68	N62-K66 WeakPolarHBondContact O-CB 3.41Å; N62-K66 PolarHBondContact O-N 2.79Å; N62-K66 VanDerWaalsContact O-N 3.07Å; T63-K66 PolarHBondContact O-N 2.71Å; L64-K66 PolarHBondContact O-N 3.26Å; K66-F68 PolarHBondContact O-N 3.13Å
67	S	88.6	Confident	90.5	Very high	73 Å²	73	59.7 Å²	59.7	51%	0.51	31%	0.307	S	S	.	.	H	α-helix	trans	-70.3	-29.9	-175	-61.1	0	0	0	0	113.7	T63 L64	T63-S67 WeakPolarHBondContact O-CB 3.32Å; T63-S67 PolarHBondContact O-N 3.27Å; T63-S67 PolarHBondContact O-OG 2.85Å; T63-S67 VanDerWaalsContact O-OG 3.1Å; L64-S67 PolarHBondContact O-N 2.81Å
68	F	85.4	Confident	90.3	Very high	73 Å²	73	62.9 Å²	62.9	32%	0.32	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	18.5	-177.3	-62.8	-86.9	0	0	0	112.8	L64 K66 L70 I191	L64-F68 HydrophobicContact CB-CD2 4.49Å; L64-F68 HydrophobicContact CD2-CD2 4.04Å; L64-F68 HydrophobicContact CD2-CE2 3.76Å; L64-F68 WeakPolarHBondContact O-CB 3.44Å; L64-F68 WeakPolarHBondContact O-CD2 3.47Å; L64-F68 PolarHBondContact O-N 3.44Å; K66-F68 PolarHBondContact O-N 3.13Å; F68-L70 VanDerWaalsContact C-N 3.31Å; F68-L70 HydrophobicContact CB-CG 4.34Å; F68-L70 PolarHBondContact O-N 2.04Å; F68-I191 HydrophobicContact CB-CD1 3.96Å; F68-I191 HydrophobicContact CB-CG1 3.95Å; F68-I191 HydrophobicContact CD1-CG1 4.21Å; F68-I191 HydrophobicContact CD1-CG2 3.97Å; F68-I191 HydrophobicContact CD2-CD1 3.66Å; F68-I191 HydrophobicContact CD2-CG1 4.2Å; F68-I191 HydrophobicContact CD2-CG2 4.2Å; F68-I191 HydrophobicContact CE1-CG2 3.76Å; F68-I191 HydrophobicContact CE2-CD1 4.28Å; F68-I191 HydrophobicContact CE2-CG2 4Å; F68-I191 HydrophobicContact CG-CD1 3.81Å; F68-I191 HydrophobicContact CG-CG1 3.87Å; F68-I191 HydrophobicContact CG-CG2 4.19Å; F68-I191 HydrophobicContact CZ-CG2 3.77Å
69	N	86.3	Confident	90.2	Very high	143 Å²	143	59.4 Å²	59.4	77%	0.765	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	33.8	175.1	-61.8	-39.2	0	0	0	115.7	A65	A65-N69 CarbonylContact O-C 3.55Å; A65-N69 WeakPolarHBondContact O-CA 3.49Å; A65-N69 PolarHBondContact O-N 2.95Å
70	L	85.4	Confident	89.8	Confident	13 Å²	13	58.8 Å²	58.8	7%	0.068	31%	0.306	C	S	.	.			trans	-88.1	-14.9	179.3	-50.7	177.3	0	0	0	113.8	A65 F68 A72 E73 Y74 L190 I191	A65-L70 HydrophobicContact CB-CB 4.1Å; A65-L70 PolarHBondContact O-N 3.3Å; F68-L70 VanDerWaalsContact C-N 3.31Å; F68-L70 HydrophobicContact CB-CG 4.34Å; F68-L70 PolarHBondContact O-N 2.04Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 3.48Å; L70-A72 VanDerWaalsContact O-N 3.12Å; L70-E73 PolarHBondContact O-N 3.28Å; L70-Y74 HydrophobicContact CB-CD2 4.13Å; L70-Y74 HydrophobicContact CD2-CD2 4.26Å; L70-Y74 HydrophobicContact CD2-CE2 4.47Å; L70-Y74 PolarHBondContact O-N 2.98Å; L70-L190 HydrophobicContact CD2-CB 4.23Å; L70-I191 HydrophobicContact CD1-CD1 3.78Å; L70-I191 HydrophobicContact CD1-CG1 4.07Å
71	K	77.2	Confident	89.5	Confident	163 Å²	163	59.3 Å²	59.3	71%	0.709	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.4	-166.2	-169.5	177.5	179.1	-176.8	0	114.7	A65	A65-K71 HydrophobicContact CB-CB 4.18Å; A65-K71 PolarHBondContact O-N 2.79Å
72	A	78	Confident	89.3	Confident	79 Å²	79	59.2 Å²	59.2	65%	0.653	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-27.6	179.2	0	0	0	0	0	112.7	L70 V103	L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 3.48Å; L70-A72 VanDerWaalsContact O-N 3.12Å; A72-V103 VanDerWaalsContact O-CG2 3.23Å; A72-V103 WeakPolarHBondContact O-CG2 3.22Å
73	E	85.5	Confident	89.2	Confident	76 Å²	76	56 Å²	56	36%	0.355	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-21.1	-168.1	-70.3	-166.8	-133.5	0	0	114.4	L70 R101 T102 V103	L70-E73 PolarHBondContact O-N 3.28Å; E73-R101 CarbonylContact O-C 3.58Å; E73-R101 WeakPolarHBondContact O-CA 3.36Å; E73-R101 WeakPolarHBondContact O-CG 3.47Å; E73-R101 IonicContact OE2-CZ 3.12Å; E73-R101 IonicContact OE2-NE 3.51Å; E73-R101 PolarHBondContact OE2-NE 2.77Å; E73-R101 IonicContact OE2-NH2 2.64Å; E73-R101 PolarHBondContact OE2-NH2 2.88Å; E73-T102 PolarHBondContact O-N 2.98Å; E73-T102 PolarHBondContact O-OG1 2.92Å; E73-V103 HydrophobicContact CG-CG2 4.22Å
74	Y	90.3	Very high	89.1	Confident	34 Å²	34	55.5 Å²	55.5	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.5	-172.7	-62.4	-89.3	0	0	0	112.3	L70 I99 K100 R101 V122 L190	L70-Y74 HydrophobicContact CB-CD2 4.13Å; L70-Y74 HydrophobicContact CD2-CD2 4.26Å; L70-Y74 HydrophobicContact CD2-CE2 4.47Å; L70-Y74 PolarHBondContact O-N 2.98Å; Y74-I99 HydrophobicContact CD1-CD1 4.16Å; Y74-I99 HydrophobicContact CD1-CG1 4.34Å; Y74-I99 HydrophobicContact CG-CD1 4.21Å; Y74-K100 CarbonylContact C-O 3.58Å; Y74-K100 VanDerWaalsContact CA-O 3.27Å; Y74-K100 WeakPolarHBondContact CA-O 3.18Å; Y74-R101 HydrophobicContact CD1-CB 4.16Å; Y74-R101 HydrophobicContact CD1-CG 4.34Å; Y74-R101 HydrophobicContact CE1-CB 3.96Å; Y74-R101 HydrophobicContact CE1-CG 4Å; Y74-V122 HydrophobicContact CD1-CG2 4.46Å; Y74-V122 HydrophobicContact CE1-CG2 3.89Å; Y74-L190 HydrophobicContact CD1-CD1 4.43Å; Y74-L190 HydrophobicContact CD2-CD1 4.45Å; Y74-L190 HydrophobicContact CE1-CD1 3.88Å; Y74-L190 HydrophobicContact CE2-CD1 3.91Å; Y74-L190 HydrophobicContact CE2-CD2 4.4Å
75	A	91.2	Very high	89	Confident	37 Å²	37	55.6 Å²	55.6	31%	0.306	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.4	171.8	0	0	0	0	0	111.5	H77 I99 K100 T102	A75-H77 PolarHBondContact O-N 3.48Å; A75-I99 WeakPolarHBondContact O-CA 3.4Å; A75-I99 WeakPolarHBondContact O-CB 3.27Å; A75-K100 PolarHBondContact N-O 2.97Å; A75-K100 PolarHBondContact O-N 2.93Å; A75-T102 HydrophobicContact CB-CG2 3.35Å
76	F	93.5	Very high	88.8	Confident	27 Å²	27	59.1 Å²	59.1	12%	0.118	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	131.3	171.4	179.8	-90.7	0	0	0	110.4	E54 A57 R58 F61 K78 L79 M97	E54-F76 HydrophobicContact CG-CZ 4.43Å; A57-F76 HydrophobicContact CB-CE2 3.89Å; A57-F76 HydrophobicContact CB-CZ 4.21Å; R58-F76 HydrophobicContact CG-CD1 3.68Å; R58-F76 HydrophobicContact CG-CD2 4.3Å; R58-F76 HydrophobicContact CG-CE1 3.69Å; R58-F76 HydrophobicContact CG-CE2 4.31Å; R58-F76 HydrophobicContact CG-CG 3.98Å; R58-F76 HydrophobicContact CG-CZ 4Å; F61-F76 HydrophobicContact CB-CB 4.49Å; F61-F76 HydrophobicContact CB-CD2 4.09Å; F61-F76 HydrophobicContact CD1-CB 3.66Å; F61-F76 HydrophobicContact CE1-CB 4.16Å; F61-F76 VanDerWaalsContact CE1-N 3.25Å; F61-F76 HydrophobicContact CG-CB 4.12Å; F61-F76 HydrophobicContact CG-CD2 4.42Å; F76-K78 VanDerWaalsContact CZ-C 3.46Å; F76-L79 HydrophobicContact CZ-CB 4.21Å; F76-M97 HydrophobicContact CD2-SD 4.27Å; F76-M97 HydrophobicContact CE2-CB 4.05Å; F76-M97 HydrophobicContact CE2-SD 4.24Å
77	H	92.3	Very high	88.4	Confident	77 Å²	77	51.6 Å²	51.6	36%	0.356	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-59.4	176.3	-178	46.8	0	0	0	111.9	A75 K98 K100	A75-H77 PolarHBondContact O-N 3.48Å; H77-K98 WeakPolarHBondContact CA-O 3.45Å; H77-K98 VanDerWaalsContact CB-O 3.32Å; H77-K98 WeakPolarHBondContact CB-O 3.03Å; H77-K98 PolarHBondContact N-O 2.78Å; H77-K100 HydrophobicContact CB-CB 4.44Å; H77-K100 HydrophobicContact CB-CD 4.17Å; H77-K100 HydrophobicContact CB-CG 3.93Å; H77-K100 WeakPolarHBondContact CD2-CE 3.29Å; H77-K100 PolarHBondContact CE1-NZ 3.31Å; H77-K100 WeakPolarHBondContact NE2-CE 3.3Å; H77-K100 PolarHBondContact NE2-NZ 2.78Å; H77-K100 VanDerWaalsContact NE2-NZ 3.17Å
78	K	92.3	Very high	87.9	Confident	67 Å²	67	54.2 Å²	54.2	29%	0.291	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	156.8	178.9	62.6	172.9	174.5	166.4	0	113	F76 H80 M97 K98 E154	F76-K78 VanDerWaalsContact CZ-C 3.46Å; K78-H80 WeakPolarHBondContact CE-CE1 3.25Å; K78-H80 VanDerWaalsContact CE-NE2 3.32Å; K78-H80 WeakPolarHBondContact CE-NE2 3.21Å; K78-H80 PolarHBondContact NZ-CE1 3.43Å; K78-M97 CarbonylContact O-C 3.53Å; K78-M97 WeakPolarHBondContact O-CA 3.04Å; K78-K98 HydrophobicContact CG-CB 3.94Å; K78-K98 HydrophobicContact CG-CD 4.34Å; K78-K98 PolarHBondContact N-O 2.86Å; K78-K98 VanDerWaalsContact N-O 3.12Å; K78-K98 PolarHBondContact O-N 2.8Å; K78-E154 IonicContact NZ-OE2 2.71Å; K78-E154 PolarHBondContact NZ-OE2 3.22Å
79	L	93.1	Very high	87.6	Confident	34 Å²	34	53.7 Å²	53.7	18%	0.178	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.1	165.9	179.6	68.4	0	0	0	108.9	K53 A57 F76 V81 L95 L96 M97	K53-L79 HydrophobicContact CB-CD2 4.39Å; K53-L79 HydrophobicContact CD-CD2 3.69Å; K53-L79 HydrophobicContact CG-CD2 3.54Å; A57-L79 HydrophobicContact CB-CB 4.25Å; A57-L79 HydrophobicContact CB-CD1 3.76Å; A57-L79 HydrophobicContact CB-CD2 4.18Å; A57-L79 HydrophobicContact CB-CG 4.29Å; F76-L79 HydrophobicContact CZ-CB 4.21Å; L79-V81 WeakPolarHBondContact CD1-O 3.33Å; L79-L95 HydrophobicContact CD1-CB 4.37Å; L79-L95 HydrophobicContact CD1-CD2 4.18Å; L79-L96 WeakPolarHBondContact CD1-O 3.22Å; L79-M97 HydrophobicContact CD1-CB 4.29Å
80	H	89.4	Confident	87.5	Confident	22 Å²	22	50 Å²	50	10%	0.102	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-49	173.2	-76.9	-88.5	0	0	0	111.5	K78 L96 F123 E154	K78-H80 WeakPolarHBondContact CE-CE1 3.25Å; K78-H80 VanDerWaalsContact CE-NE2 3.32Å; K78-H80 WeakPolarHBondContact CE-NE2 3.21Å; K78-H80 PolarHBondContact NZ-CE1 3.43Å; H80-L96 HydrophobicContact CB-CD2 4.42Å; H80-L96 HydrophobicContact CB-CG 4.41Å; H80-L96 WeakPolarHBondContact CB-O 3.36Å; H80-L96 PolarHBondContact N-O 2.99Å; H80-F123 AromaticContact NE2-CE1 3.53Å; H80-E154 IonicContact CE1-OE1 3.12Å; H80-E154 IonicContact CE1-OE2 2.63Å
81	V	90	Very high	87.8	Confident	12 Å²	12	54.1 Å²	54.1	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	142.9	179.7	55	0	0	0	0	109.8	L79 V83 L96 L157 L162	L79-V81 WeakPolarHBondContact CD1-O 3.33Å; V81-V83 HydrophobicContact CG2-CG1 4.28Å; V81-L96 HydrophobicContact CG1-CB 3.56Å; V81-L96 HydrophobicContact CG1-CD2 3.99Å; V81-L96 HydrophobicContact CG1-CG 4.38Å; V81-L96 PolarHBondContact N-O 2.8Å; V81-L96 PolarHBondContact O-N 2.87Å; V81-L157 WeakPolarHBondContact CG1-O 3.46Å; V81-L162 HydrophobicContact CB-CD1 4.35Å; V81-L162 HydrophobicContact CG1-CD1 3.62Å; V81-L162 HydrophobicContact CG1-CD2 4.46Å; V81-L162 HydrophobicContact CG1-CG 4.24Å; V81-L162 HydrophobicContact CG2-CD1 3.88Å; V81-L162 HydrophobicContact CG2-CG 4.26Å
82	G	92.1	Very high	88.5	Confident	5 Å²	5	48.6 Å²	48.6	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	129.3	175.1	0	0	0	0	0	110.4	K53 I94	K53-G82 WeakPolarHBondContact CD-O 3.3Å; K53-G82 WeakPolarHBondContact CE-O 3.26Å; G82-I94 VanDerWaalsContact CA-O 3.28Å; G82-I94 WeakPolarHBondContact CA-O 3.24Å
83	V	92.5	Very high	89.3	Confident	28 Å²	28	45 Å²	45	17%	0.17	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.3	-177.9	-61.5	0	0	0	0	111	V81 A93 I94 L162	V81-V83 HydrophobicContact CG2-CG1 4.28Å; V83-A93 CarbonylContact O-C 3.45Å; V83-A93 VanDerWaalsContact O-CA 3.3Å; V83-A93 WeakPolarHBondContact O-CA 3.38Å; V83-I94 HydrophobicContact CG2-CB 4.03Å; V83-I94 PolarHBondContact N-O 3.48Å; V83-I94 PolarHBondContact O-N 3.47Å; V83-L162 HydrophobicContact CG2-CB 3.8Å; V83-L162 HydrophobicContact CG2-CD1 4.2Å; V83-L162 HydrophobicContact CG2-CG 4.49Å
84	I	92	Very high	89.8	Confident	33 Å²	33	41.3 Å²	41.3	17%	0.169	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	117.9	167.8	-64.1	171.6	0	0	0	107.7	G45 L46 W48 H91 R92 A93	G45-I84 WeakPolarHBondContact CA-O 3.41Å; L46-I84 HydrophobicContact CB-CB 4.4Å; L46-I84 HydrophobicContact CD1-CG2 3.97Å; W48-I84 HydrophobicContact CB-CD1 4.36Å; W48-I84 HydrophobicContact CD2-CD1 3.81Å; W48-I84 HydrophobicContact CD2-CG1 3.92Å; W48-I84 HydrophobicContact CE3-CD1 4.03Å; W48-I84 HydrophobicContact CE3-CG1 3.59Å; W48-I84 HydrophobicContact CG-CD1 3.99Å; W48-I84 HydrophobicContact CG-CG1 4.46Å; W48-I84 HydrophobicContact CH2-CG1 4.48Å; W48-I84 HydrophobicContact CZ3-CG1 3.89Å; I84-H91 HydrophobicContact CG2-CB 3.81Å; I84-R92 CarbonylContact C-O 3.59Å; I84-R92 WeakPolarHBondContact CA-O 3.48Å; I84-A93 HydrophobicContact CG1-CB 4.48Å
85	C	90.9	Very high	90	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.8	176.1	-48.5	0	0	0	0	109.2	R92 C163	C85-R92 PolarHBondContact N-O 3.44Å; C85-R92 PolarHBondContact O-N 3.34Å; C85-C163 WeakPolarHBondContact CA-SG 3.46Å; C85-C163 HydrophobicContact CB-CB 3.83Å; C85-C163 WeakPolarHBondContact CB-SG 3.21Å; C85-C163 WeakPolarHBondContact SG-CA 3.11Å; C85-C163 WeakPolarHBondContact SG-CB 3.43Å; C85-C163 CovalentContact SG-SG 2.04Å; C85-C163 PolarHBondContact SG-SG 2.87Å
86	N	87.6	Confident	90.1	Very high	75 Å²	75	38.4 Å²	38.4	40%	0.401	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.1	171.5	-174	-0.5	0	0	0	109.1	G89	N86-G89 WeakPolarHBondContact OD1-CA 3.41Å; N86-G89 PolarHBondContact OD1-N 3.48Å
87	V	82.8	Confident	90.2	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.055	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	110.4	178.5	-179.6	0	0	0	0	108.8	G89 E90 G172 H174	V87-G89 PolarHBondContact O-N 2.93Å; V87-E90 PolarHBondContact N-O 3.45Å; V87-E90 PolarHBondContact O-N 3.4Å; V87-G172 WeakPolarHBondContact CG1-O 3.25Å; V87-H174 WeakPolarHBondContact CG2-CE1 3.4Å
88	S	77.6	Confident	90.2	Very high	127 Å²	127	34 Å²	34	89%	0.888	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	35	176.2	-52.3	0	0	0	0	113
89	G	79.6	Confident	90.2	Very high	63 Å²	63	30.8 Å²	30.8	65%	0.649	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.3	-7.3	-178.7	0	0	0	0	0	115.6	N86 V87	N86-G89 WeakPolarHBondContact OD1-CA 3.41Å; N86-G89 PolarHBondContact OD1-N 3.48Å; V87-G89 PolarHBondContact O-N 2.93Å
90	E	85.4	Confident	90	Very high	65 Å²	65	33.2 Å²	33.2	30%	0.304	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.8	173.9	-169.9	-176.8	-153.5	0	0	110.7	V87 R92 T129	V87-E90 PolarHBondContact N-O 3.45Å; V87-E90 PolarHBondContact O-N 3.4Å; E90-R92 HydrophobicContact CG-CG 4.34Å; E90-R92 PolarHBondContact O-N 3.2Å; E90-R92 IonicContact OE2-CZ 2.8Å; E90-R92 IonicContact OE2-NE 3.26Å; E90-R92 PolarHBondContact OE2-NE 3.32Å; E90-R92 IonicContact OE2-NH2 2.76Å; E90-R92 PolarHBondContact OE2-NH2 2.89Å; E90-T129 HydrophobicContact CG-CG2 4.13Å; E90-T129 WeakPolarHBondContact OE1-CG2 3.31Å
91	H	90.2	Very high	89.9	Confident	99 Å²	99	38.3 Å²	38.3	46%	0.458	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	112.6	172.7	-67	-49.2	0	0	0	110.9	L46 I84	L46-H91 WeakPolarHBondContact CD1-CE1 3.19Å; L46-H91 WeakPolarHBondContact CD1-ND1 3.36Å; I84-H91 HydrophobicContact CG2-CB 3.81Å
92	R	92.5	Very high	89.4	Confident	47 Å²	47	41.4 Å²	41.4	18%	0.177	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.2	178.1	-64.1	179.5	-179	163.9	5.8	109.7	I84 C85 E90 G128 I139 G172	I84-R92 CarbonylContact C-O 3.59Å; I84-R92 WeakPolarHBondContact CA-O 3.48Å; C85-R92 PolarHBondContact N-O 3.44Å; C85-R92 PolarHBondContact O-N 3.34Å; E90-R92 HydrophobicContact CG-CG 4.34Å; E90-R92 PolarHBondContact O-N 3.2Å; E90-R92 IonicContact OE2-CZ 2.8Å; E90-R92 IonicContact OE2-NE 3.26Å; E90-R92 PolarHBondContact OE2-NE 3.32Å; E90-R92 IonicContact OE2-NH2 2.76Å; E90-R92 PolarHBondContact OE2-NH2 2.89Å; R92-G128 CarbonylContact C-O 3.47Å; R92-G128 WeakPolarHBondContact CA-O 3.22Å; R92-I139 HydrophobicContact CG-CD1 4.07Å; R92-G172 PolarHBondContact NH1-O 2.76Å; R92-G172 VanDerWaalsContact NH1-O 3.17Å
93	A	94.6	Very high	88.2	Confident	3 Å²	3	44.7 Å²	44.7	3%	0.025	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.7	172.1	0	0	0	0	0	110	W48 V83 I84 W126 I127 G128 L130	W48-A93 HydrophobicContact CH2-CB 3.85Å; W48-A93 HydrophobicContact CZ3-CB 4.04Å; V83-A93 CarbonylContact O-C 3.45Å; V83-A93 VanDerWaalsContact O-CA 3.3Å; V83-A93 WeakPolarHBondContact O-CA 3.38Å; I84-A93 HydrophobicContact CG1-CB 4.48Å; A93-W126 HydrophobicContact CB-CZ3 3.9Å; A93-W126 WeakPolarHBondContact O-CZ3 3.36Å; A93-I127 WeakPolarHBondContact O-CA 3.46Å; A93-G128 PolarHBondContact N-O 2.86Å; A93-G128 PolarHBondContact O-N 3.28Å; A93-L130 HydrophobicContact CB-CD1 3.56Å; A93-L130 HydrophobicContact CB-CG 3.88Å
94	I	95.1	Very high	86.5	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.6	172.1	-49.1	-172.6	0	0	0	107.6	G82 V83 W126 I127 L162 W166 H174	G82-I94 VanDerWaalsContact CA-O 3.28Å; G82-I94 WeakPolarHBondContact CA-O 3.24Å; V83-I94 HydrophobicContact CG2-CB 4.03Å; V83-I94 PolarHBondContact N-O 3.48Å; V83-I94 PolarHBondContact O-N 3.47Å; I94-W126 CarbonylContact C-O 3.47Å; I94-W126 WeakPolarHBondContact CA-O 3.29Å; I94-I127 HydrophobicContact CB-CG1 4.41Å; I94-I127 HydrophobicContact CD1-CG1 4.38Å; I94-I127 HydrophobicContact CG1-CG1 4.06Å; I94-I127 HydrophobicContact CG1-CG2 4.38Å; I94-I127 HydrophobicContact CG2-CG1 3.92Å; I94-L162 HydrophobicContact CB-CD1 4.31Å; I94-L162 HydrophobicContact CG2-CB 4.34Å; I94-L162 HydrophobicContact CG2-CD1 3.83Å; I94-W166 HydrophobicContact CG2-CE3 3.67Å; I94-W166 HydrophobicContact CG2-CH2 4.35Å; I94-W166 HydrophobicContact CG2-CZ3 3.52Å; I94-H174 HydrophobicContact CD1-CB 4.17Å; I94-H174 VanDerWaalsContact CD1-CD2 3.43Å; I94-H174 WeakPolarHBondContact CD1-CD2 3.47Å
95	L	95.3	Very high	84.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.7	-176.1	-59.4	174.8	0	0	0	110.1	W48 A57 V60 L79 M97 S125 W126	W48-L95 HydrophobicContact CH2-CD2 3.77Å; W48-L95 HydrophobicContact CZ3-CD2 3.87Å; A57-L95 HydrophobicContact CB-CD1 4.27Å; V60-L95 HydrophobicContact CB-CD1 4.17Å; V60-L95 HydrophobicContact CG1-CD1 4.35Å; V60-L95 HydrophobicContact CG2-CD1 3.91Å; L79-L95 HydrophobicContact CD1-CB 4.37Å; L79-L95 HydrophobicContact CD1-CD2 4.18Å; L95-M97 HydrophobicContact CB-CE 3.89Å; L95-M97 HydrophobicContact CD1-CE 4.17Å; L95-S125 CarbonylContact O-C 3.55Å; L95-S125 WeakPolarHBondContact O-CA 3.32Å; L95-W126 HydrophobicContact CB-CE3 4.4Å; L95-W126 HydrophobicContact CD1-CE3 3.77Å; L95-W126 HydrophobicContact CD1-CZ3 4.13Å; L95-W126 HydrophobicContact CG-CE3 4Å; L95-W126 HydrophobicContact CG-CZ3 4.45Å; L95-W126 PolarHBondContact N-O 3.1Å; L95-W126 PolarHBondContact O-N 3.41Å
96	L	94.1	Very high	82.6	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.3	167.9	-179	66.4	0	0	0	108.6	L79 H80 V81 C124 S125 L157	L79-L96 WeakPolarHBondContact CD1-O 3.22Å; H80-L96 HydrophobicContact CB-CD2 4.42Å; H80-L96 HydrophobicContact CB-CG 4.41Å; H80-L96 WeakPolarHBondContact CB-O 3.36Å; H80-L96 PolarHBondContact N-O 2.99Å; V81-L96 HydrophobicContact CG1-CB 3.56Å; V81-L96 HydrophobicContact CG1-CD2 3.99Å; V81-L96 HydrophobicContact CG1-CG 4.38Å; V81-L96 PolarHBondContact N-O 2.8Å; V81-L96 PolarHBondContact O-N 2.87Å; L96-C124 WeakPolarHBondContact CA-O 3.37Å; L96-S125 WeakPolarHBondContact CD1-OG 3.44Å; L96-L157 HydrophobicContact CD2-CB 4.27Å; L96-L157 HydrophobicContact CD2-CD1 4.11Å; L96-L157 HydrophobicContact CD2-CD2 4Å; L96-L157 HydrophobicContact CD2-CG 4.37Å
97	M	94	Very high	80.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	159.1	-174.9	67.4	-170.3	82.8	0	0	111.4	A57 V60 F61 F76 K78 L79 L95 I99 C124 W126	A57-M97 HydrophobicContact CB-CE 4.45Å; V60-M97 HydrophobicContact CG1-CE 4.01Å; F61-M97 HydrophobicContact CB-SD 3.91Å; F76-M97 HydrophobicContact CD2-SD 4.27Å; F76-M97 HydrophobicContact CE2-CB 4.05Å; F76-M97 HydrophobicContact CE2-SD 4.24Å; K78-M97 CarbonylContact O-C 3.53Å; K78-M97 WeakPolarHBondContact O-CA 3.04Å; L79-M97 HydrophobicContact CD1-CB 4.29Å; L95-M97 HydrophobicContact CB-CE 3.89Å; L95-M97 HydrophobicContact CD1-CE 4.17Å; M97-I99 HydrophobicContact CG-CG2 4.47Å; M97-C124 HydrophobicContact CG-CB 3.7Å; M97-C124 PolarHBondContact N-O 3.18Å; M97-C124 PolarHBondContact O-N 3.36Å; M97-C124 HydrophobicContact SD-CB 4.49Å; M97-W126 HydrophobicContact CE-CB 4.46Å
98	K	93	Very high	79.1	Confident	12 Å²	12	62.6 Å²	62.6	5%	0.052	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.5	175.7	-177.6	173.1	-177.4	167.7	0	109	H77 K78 D121 V122 F123 E154	H77-K98 WeakPolarHBondContact CA-O 3.45Å; H77-K98 VanDerWaalsContact CB-O 3.32Å; H77-K98 WeakPolarHBondContact CB-O 3.03Å; H77-K98 PolarHBondContact N-O 2.78Å; K78-K98 HydrophobicContact CG-CB 3.94Å; K78-K98 HydrophobicContact CG-CD 4.34Å; K78-K98 PolarHBondContact N-O 2.86Å; K78-K98 VanDerWaalsContact N-O 3.12Å; K78-K98 PolarHBondContact O-N 2.8Å; K98-D121 WeakPolarHBondContact CE-OD1 3.42Å; K98-D121 WeakPolarHBondContact CE-OD2 3.49Å; K98-D121 IonicContact NZ-OD1 3.33Å; K98-D121 PolarHBondContact NZ-OD1 2.69Å; K98-D121 IonicContact NZ-OD2 2.74Å; K98-D121 PolarHBondContact NZ-OD2 2.65Å; K98-V122 WeakPolarHBondContact CA-O 3.34Å; K98-F123 HydrophobicContact CB-CE1 4.45Å; K98-F123 HydrophobicContact CD-CE1 4.23Å; K98-F123 HydrophobicContact CD-CZ 4.23Å; K98-F123 HydrophobicContact CG-CE1 4.46Å; K98-E154 IonicContact NZ-OE1 2.94Å; K98-E154 PolarHBondContact NZ-OE1 3.12Å
99	I	92.7	Very high	77.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.6	178.3	74.3	173.9	0	0	0	109.3	F61 Y74 A75 M97 V122	F61-I99 HydrophobicContact CD2-CG2 3.65Å; F61-I99 HydrophobicContact CE2-CB 4.11Å; F61-I99 HydrophobicContact CE2-CD1 3.69Å; F61-I99 HydrophobicContact CE2-CG2 3.63Å; F61-I99 HydrophobicContact CG-CG2 4.42Å; F61-I99 HydrophobicContact CZ-CD1 4.45Å; F61-I99 HydrophobicContact CZ-CG2 4.36Å; Y74-I99 HydrophobicContact CD1-CD1 4.16Å; Y74-I99 HydrophobicContact CD1-CG1 4.34Å; Y74-I99 HydrophobicContact CG-CD1 4.21Å; A75-I99 WeakPolarHBondContact O-CA 3.4Å; A75-I99 WeakPolarHBondContact O-CB 3.27Å; M97-I99 HydrophobicContact CG-CG2 4.47Å; I99-V122 HydrophobicContact CD1-CB 4.24Å; I99-V122 HydrophobicContact CD1-CG1 3.76Å; I99-V122 HydrophobicContact CG1-CB 3.55Å; I99-V122 HydrophobicContact CG1-CG1 3.55Å; I99-V122 PolarHBondContact N-O 2.85Å; I99-V122 PolarHBondContact O-N 3.37Å
100	K	89.2	Confident	76.7	Confident	84 Å²	84	71 Å²	71	37%	0.365	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.8	-178.1	-77	-175.1	172.5	177.7	0	110.8	Y74 A75 H77	Y74-K100 CarbonylContact C-O 3.58Å; Y74-K100 VanDerWaalsContact CA-O 3.27Å; Y74-K100 WeakPolarHBondContact CA-O 3.18Å; A75-K100 PolarHBondContact N-O 2.97Å; A75-K100 PolarHBondContact O-N 2.93Å; H77-K100 HydrophobicContact CB-CB 4.44Å; H77-K100 HydrophobicContact CB-CD 4.17Å; H77-K100 HydrophobicContact CB-CG 3.93Å; H77-K100 WeakPolarHBondContact CD2-CE 3.29Å; H77-K100 PolarHBondContact CE1-NZ 3.31Å; H77-K100 WeakPolarHBondContact NE2-CE 3.3Å; H77-K100 PolarHBondContact NE2-NZ 2.78Å; H77-K100 VanDerWaalsContact NE2-NZ 3.17Å
101	R	85.9	Confident	74.8	Confident	130 Å²	130	75.7 Å²	75.7	49%	0.491	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	130.9	174.3	-156	179	-167.9	-173.8	1.1	109.8	E73 Y74	E73-R101 CarbonylContact O-C 3.58Å; E73-R101 WeakPolarHBondContact O-CA 3.36Å; E73-R101 WeakPolarHBondContact O-CG 3.47Å; E73-R101 IonicContact OE2-CZ 3.12Å; E73-R101 IonicContact OE2-NE 3.51Å; E73-R101 PolarHBondContact OE2-NE 2.77Å; E73-R101 IonicContact OE2-NH2 2.64Å; E73-R101 PolarHBondContact OE2-NH2 2.88Å; Y74-R101 HydrophobicContact CD1-CB 4.16Å; Y74-R101 HydrophobicContact CD1-CG 4.34Å; Y74-R101 HydrophobicContact CE1-CB 3.96Å; Y74-R101 HydrophobicContact CE1-CG 4Å
102	T	79.5	Confident	72.7	Confident	76 Å²	76	76.6 Å²	76.6	47%	0.466	41%	0.414	S	S	.	.			trans	-97.1	-29	-177.5	48.3	0	0	0	0	113.5	E73 A75 S104	E73-T102 PolarHBondContact O-N 2.98Å; E73-T102 PolarHBondContact O-OG1 2.92Å; A75-T102 HydrophobicContact CB-CG2 3.35Å; T102-S104 PolarHBondContact O-N 2.88Å; T102-S104 VanDerWaalsContact O-N 3.1Å
103	V	67.8	Low	70.5	Confident	75 Å²	75	79 Å²	79	46%	0.455	44%	0.439	S	S	.	.			trans	-73.1	108.7	-178.8	-177.8	0	0	0	0	108.9	A72 E73	A72-V103 VanDerWaalsContact O-CG2 3.23Å; A72-V103 WeakPolarHBondContact O-CG2 3.22Å; E73-V103 HydrophobicContact CG-CG2 4.22Å
104	S	55.9	Low	68.2	Low	104 Å²	104	82 Å²	82	73%	0.727	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-73.4	123.5	161.9	50.2	0	0	0	0	107.2	T102 S106	T102-S104 PolarHBondContact O-N 2.88Å; T102-S104 VanDerWaalsContact O-N 3.1Å; S104-S106 PolarHBondContact O-N 3.35Å; S104-S106 VanDerWaalsContact O-N 3.11Å
105	C	54.5	Low	65.9	Low	66 Å²	66	87.9 Å²	87.9	45%	0.446	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-55.3	121.9	174.9	-70.4	0	0	0	0	110	K107 C114	C105-K107 PolarHBondContact O-N 2.98Å; C105-C114 HydrophobicContact CB-CB 3.4Å; C105-C114 VanDerWaalsContact CB-CB 3.4Å; C105-C114 WeakPolarHBondContact CB-SG 3.48Å; C105-C114 WeakPolarHBondContact SG-CB 3.32Å; C105-C114 CovalentContact SG-SG 2.04Å; C105-C114 PolarHBondContact SG-SG 3.49Å
106	S	47.7	Very low	63.7	Low	116 Å²	116	94.5 Å²	94.5	81%	0.811	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-70.9	116.3	166	42.1	0	0	0	0	108.3	S104 G108	S104-S106 PolarHBondContact O-N 3.35Å; S104-S106 VanDerWaalsContact O-N 3.11Å; S106-G108 PolarHBondContact O-N 3.38Å
107	K	49	Very low	61.6	Low	194 Å²	194	101 Å²	101	84%	0.843	55%	0.554	S	S	*	*			trans	-62.6	104.2	170.6	-73.2	-179.2	176.8	179.2	0	108.2	C105	C105-K107 PolarHBondContact O-N 2.98Å
108	G	48	Very low	59.7	Low	44 Å²	44	107.7 Å²	107.7	45%	0.454	59%	0.589	S	S	.	*	B	Isolated β-bridge	trans	-68.8	141	165.5	0	0	0	0	0	109.8	S106 F110 Q111	S106-G108 PolarHBondContact O-N 3.38Å; G108-F110 PolarHBondContact O-N 2.82Å; G108-Q111 PolarHBondContact O-N 2.8Å
109	L	50.6	Low	58.1	Low	168 Å²	168	114.4 Å²	114.4	88%	0.88	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	-21.2	-177.2	-98.5	142.1	0	0	0	115.2
110	F	55	Low	57.1	Low	198 Å²	198	120.6 Å²	120.6	87%	0.868	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	5.5	-175.8	-67	-78.3	0	0	0	115.3	G108	G108-F110 PolarHBondContact O-N 2.82Å
111	Q	45.5	Very low	56.9	Low	165 Å²	165	117.6 Å²	117.6	77%	0.771	64%	0.635	S	S	*	*	B	Isolated β-bridge	trans	-137	91.2	174.7	-82.4	-178.6	-25.9	0	0	110.1	G108 S113	G108-Q111 PolarHBondContact O-N 2.8Å; Q111-S113 PolarHBondContact O-N 3.3Å
112	S	46.8	Very low	57.2	Low	118 Å²	118	111.6 Å²	111.6	83%	0.825	61%	0.613	S	S	*	*			trans	-78.9	12.6	176.9	56.3	0	0	0	0	114.2	C114	S112-C114 PolarHBondContact O-N 3.13Å
113	S	45.8	Very low	57.9	Low	98 Å²	98	108.1 Å²	108.1	69%	0.685	59%	0.592	S	S	*	*			trans	-98.3	52.1	-175.9	175.3	0	0	0	0	112.1	Q111 E115	Q111-S113 PolarHBondContact O-N 3.3Å; S113-E115 VanDerWaalsContact C-N 3.3Å; S113-E115 PolarHBondContact O-N 3.31Å
114	C	47.1	Very low	59.2	Low	66 Å²	66	104.6 Å²	104.6	45%	0.446	57%	0.57	S	S	.	*			trans	-86.1	93.5	144.1	-101.7	0	0	0	0	105.3	C105 S112 T116	C105-C114 HydrophobicContact CB-CB 3.4Å; C105-C114 VanDerWaalsContact CB-CB 3.4Å; C105-C114 WeakPolarHBondContact CB-SG 3.48Å; C105-C114 WeakPolarHBondContact SG-CB 3.32Å; C105-C114 CovalentContact SG-SG 2.04Å; C105-C114 PolarHBondContact SG-SG 3.49Å; S112-C114 PolarHBondContact O-N 3.13Å; C114-T116 VanDerWaalsContact C-N 3.27Å; C114-T116 PolarHBondContact O-N 2.73Å
115	E	47.1	Very low	61.1	Low	122 Å²	122	99.7 Å²	99.7	57%	0.57	54%	0.536	S	S	*	.			trans	-51.3	107.6	157.7	-85.4	174.7	131.4	0	0	105.8	S113 K117	S113-E115 VanDerWaalsContact C-N 3.3Å; S113-E115 PolarHBondContact O-N 3.31Å; E115-K117 HydrophobicContact CB-CB 4.12Å; E115-K117 HydrophobicContact CB-CD 4.01Å; E115-K117 HydrophobicContact CB-CG 3.86Å; E115-K117 HydrophobicContact CG-CD 4.42Å; E115-K117 HydrophobicContact CG-CG 4.42Å; E115-K117 PolarHBondContact O-N 3.39Å; E115-K117 WeakPolarHBondContact OE1-CE 3.46Å; E115-K117 IonicContact OE1-NZ 2.7Å; E115-K117 PolarHBondContact OE1-NZ 3.01Å; E115-K117 VanDerWaalsContact OE1-NZ 3.12Å; E115-K117 VanDerWaalsContact OE2-CD 3.27Å; E115-K117 WeakPolarHBondContact OE2-CD 3.32Å; E115-K117 WeakPolarHBondContact OE2-CE 3.13Å; E115-K117 IonicContact OE2-NZ 3.81Å; E115-K117 PolarHBondContact OE2-NZ 3.45Å
116	T	47.9	Very low	63.1	Low	140 Å²	140	96.6 Å²	96.6	86%	0.859	52%	0.515	S	S	*	.			trans	-63.2	47.7	155.1	41.2	0	0	0	0	108.5	C114 I118	C114-T116 VanDerWaalsContact C-N 3.27Å; C114-T116 PolarHBondContact O-N 2.73Å; T116-I118 PolarHBondContact O-N 3.36Å
117	K	50.4	Low	65.3	Low	144 Å²	144	91.1 Å²	91.1	63%	0.626	48%	0.476	S	S	*	.			trans	-55.3	98	167.5	-102.3	170.2	176.9	159.4	0	103.7	E115 Q119	E115-K117 HydrophobicContact CB-CB 4.12Å; E115-K117 HydrophobicContact CB-CD 4.01Å; E115-K117 HydrophobicContact CB-CG 3.86Å; E115-K117 HydrophobicContact CG-CD 4.42Å; E115-K117 HydrophobicContact CG-CG 4.42Å; E115-K117 PolarHBondContact O-N 3.39Å; E115-K117 WeakPolarHBondContact OE1-CE 3.46Å; E115-K117 IonicContact OE1-NZ 2.7Å; E115-K117 PolarHBondContact OE1-NZ 3.01Å; E115-K117 VanDerWaalsContact OE1-NZ 3.12Å; E115-K117 VanDerWaalsContact OE2-CD 3.27Å; E115-K117 WeakPolarHBondContact OE2-CD 3.32Å; E115-K117 WeakPolarHBondContact OE2-CE 3.13Å; E115-K117 IonicContact OE2-NZ 3.81Å; E115-K117 PolarHBondContact OE2-NZ 3.45Å; K117-Q119 PolarHBondContact O-N 3.43Å
118	I	54.2	Low	67.5	Low	141 Å²	141	81.9 Å²	81.9	72%	0.723	44%	0.436	S	S	*	.			trans	11.7	98.8	167.5	-56.6	166.4	0	0	0	109.6	T116 K120	T116-I118 PolarHBondContact O-N 3.36Å; I118-K120 VanDerWaalsContact C-N 3.32Å; I118-K120 WeakPolarHBondContact O-CG 3.28Å; I118-K120 PolarHBondContact O-N 3.16Å
119	Q	59.6	Low	69.8	Low	154 Å²	154	80.6 Å²	80.6	72%	0.72	42%	0.419	S	S	*	.			trans	-49.7	101.7	178.3	-79.2	-175	-9.7	0	0	108.2	K117 D121	K117-Q119 PolarHBondContact O-N 3.43Å; Q119-D121 PolarHBondContact O-N 3.2Å
120	K	71.9	Confident	71.8	Confident	130 Å²	130	74.8 Å²	74.8	57%	0.565	39%	0.389	S	S	*	.			trans	-73.4	130	-179.4	-71.6	-171.9	180	-178.3	0	106.7	I118 P145 Q146	I118-K120 VanDerWaalsContact C-N 3.32Å; I118-K120 WeakPolarHBondContact O-CG 3.28Å; I118-K120 PolarHBondContact O-N 3.16Å; K120-P145 HydrophobicContact CB-CB 3.96Å; K120-P145 HydrophobicContact CD-CB 4.22Å; K120-Q146 WeakPolarHBondContact CB-O 3.32Å
121	D	85.6	Confident	73.6	Confident	20 Å²	20	70.2 Å²	70.2	11%	0.107	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.4	170.2	-75.8	-40.9	0	0	0	108.5	K98 Q119 F123 P145 Q146	K98-D121 WeakPolarHBondContact CE-OD1 3.42Å; K98-D121 WeakPolarHBondContact CE-OD2 3.49Å; K98-D121 IonicContact NZ-OD1 3.33Å; K98-D121 PolarHBondContact NZ-OD1 2.69Å; K98-D121 IonicContact NZ-OD2 2.74Å; K98-D121 PolarHBondContact NZ-OD2 2.65Å; Q119-D121 PolarHBondContact O-N 3.2Å; D121-F123 HydrophobicContact CB-CD2 4.43Å; D121-F123 HydrophobicContact CB-CE2 3.77Å; D121-F123 HydrophobicContact CB-CZ 4.37Å; D121-P145 CarbonylContact O-C 3.54Å; D121-P145 WeakPolarHBondContact O-CA 3.46Å; D121-Q146 PolarHBondContact N-O 2.76Å; D121-Q146 PolarHBondContact O-N 3.26Å; D121-Q146 VanDerWaalsContact O-O 3.1Å
122	V	91.6	Very high	75.7	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.024	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.5	176.2	177.1	0	0	0	0	108.1	Y74 K98 I99 C143 Y144 P145 L190	Y74-V122 HydrophobicContact CD1-CG2 4.46Å; Y74-V122 HydrophobicContact CE1-CG2 3.89Å; K98-V122 WeakPolarHBondContact CA-O 3.34Å; I99-V122 HydrophobicContact CD1-CB 4.24Å; I99-V122 HydrophobicContact CD1-CG1 3.76Å; I99-V122 HydrophobicContact CG1-CB 3.55Å; I99-V122 HydrophobicContact CG1-CG1 3.55Å; I99-V122 PolarHBondContact N-O 2.85Å; I99-V122 PolarHBondContact O-N 3.37Å; V122-C143 HydrophobicContact CG1-CB 4.34Å; V122-Y144 WeakPolarHBondContact CA-O 3.42Å; V122-P145 HydrophobicContact CG2-CB 4.39Å; V122-L190 HydrophobicContact CG1-CD1 3.7Å; V122-L190 HydrophobicContact CG2-CD1 4.07Å
123	F	93	Very high	77.7	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.2	175.3	-68.2	-92.8	0	0	0	109	H80 K98 D121 C143 Y144 Q146 L157	H80-F123 AromaticContact NE2-CE1 3.53Å; K98-F123 HydrophobicContact CB-CE1 4.45Å; K98-F123 HydrophobicContact CD-CE1 4.23Å; K98-F123 HydrophobicContact CD-CZ 4.23Å; K98-F123 HydrophobicContact CG-CE1 4.46Å; D121-F123 HydrophobicContact CB-CD2 4.43Å; D121-F123 HydrophobicContact CB-CE2 3.77Å; D121-F123 HydrophobicContact CB-CZ 4.37Å; F123-C143 CarbonylContact O-C 3.58Å; F123-C143 VanDerWaalsContact O-CA 3.25Å; F123-C143 WeakPolarHBondContact O-CA 3.49Å; F123-Y144 HydrophobicContact CB-CE2 4.02Å; F123-Y144 PolarHBondContact N-O 2.91Å; F123-Y144 PolarHBondContact O-N 3.4Å; F123-Q146 HydrophobicContact CD2-CB 3.9Å; F123-Q146 HydrophobicContact CE2-CB 4.14Å; F123-L157 HydrophobicContact CE1-CD1 4.5Å
124	C	95.2	Very high	80	Confident	1 Å²	1	64 Å²	64	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	124.6	-179.2	-72.5	0	0	0	0	109.9	L96 M97 A142 C143	L96-C124 WeakPolarHBondContact CA-O 3.37Å; M97-C124 HydrophobicContact CG-CB 3.7Å; M97-C124 PolarHBondContact N-O 3.18Å; M97-C124 PolarHBondContact O-N 3.36Å; M97-C124 HydrophobicContact SD-CB 4.49Å; C124-A142 CarbonylContact C-O 3.55Å; C124-A142 WeakPolarHBondContact CA-O 3.15Å; C124-C143 HydrophobicContact CB-CB 4.2Å; C124-C143 WeakPolarHBondContact CB-SG 3.29Å; C124-C143 WeakPolarHBondContact SG-CB 3.41Å; C124-C143 CovalentContact SG-SG 2.04Å; C124-C143 PolarHBondContact SG-SG 2.96Å
125	S	95.7	Very high	82	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	138.9	171.1	-57.4	0	0	0	0	109.3	L95 L96 A141 A142 W166	L95-S125 CarbonylContact O-C 3.55Å; L95-S125 WeakPolarHBondContact O-CA 3.32Å; L96-S125 WeakPolarHBondContact CD1-OG 3.44Å; S125-A141 CarbonylContact O-C 3.5Å; S125-A141 VanDerWaalsContact O-CA 3.3Å; S125-A141 WeakPolarHBondContact O-CA 3.47Å; S125-A142 PolarHBondContact N-O 3.41Å; S125-A142 PolarHBondContact O-N 3.37Å; S125-W166 WeakPolarHBondContact OG-CH2 3.4Å
126	W	96.8	Very high	84.2	Confident	1 Å²	1	63.3 Å²	63.3	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	140.7	178.3	178.3	89.3	0	0	0	111	V60 A93 I94 L95 M97 G128 L130 Q135 G140	V60-W126 HydrophobicContact CG1-CB 4.05Å; V60-W126 HydrophobicContact CG1-CD2 3.56Å; V60-W126 HydrophobicContact CG1-CE3 4.16Å; V60-W126 HydrophobicContact CG1-CG 3.49Å; V60-W126 VanDerWaalsContact CG1-CG 3.49Å; V60-W126 HydrophobicContact CG2-CD2 4.22Å; V60-W126 HydrophobicContact CG2-CE3 4.2Å; V60-W126 HydrophobicContact CG2-CH2 4.11Å; V60-W126 HydrophobicContact CG2-CZ2 4.16Å; V60-W126 HydrophobicContact CG2-CZ3 4.13Å; A93-W126 HydrophobicContact CB-CZ3 3.9Å; A93-W126 WeakPolarHBondContact O-CZ3 3.36Å; I94-W126 CarbonylContact C-O 3.47Å; I94-W126 WeakPolarHBondContact CA-O 3.29Å; L95-W126 HydrophobicContact CB-CE3 4.4Å; L95-W126 HydrophobicContact CD1-CE3 3.77Å; L95-W126 HydrophobicContact CD1-CZ3 4.13Å; L95-W126 HydrophobicContact CG-CE3 4Å; L95-W126 HydrophobicContact CG-CZ3 4.45Å; L95-W126 PolarHBondContact N-O 3.1Å; L95-W126 PolarHBondContact O-N 3.41Å; M97-W126 HydrophobicContact CE-CB 4.46Å; W126-G128 VanDerWaalsContact CH2-C 3.45Å; W126-L130 HydrophobicContact CH2-CD2 3.75Å; W126-L130 HydrophobicContact CH2-CG 4.26Å; W126-L130 HydrophobicContact CZ3-CD2 4.13Å; W126-L130 HydrophobicContact CZ3-CG 4.46Å; W126-Q135 HydrophobicContact CZ2-CG 3.77Å; W126-G140 WeakPolarHBondContact CA-O 3.37Å
127	I	95.5	Very high	86.3	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.7	173	-59.9	164.1	0	0	0	108.3	A93 I94 I139 G140 W166 H174 L176 P195	A93-I127 WeakPolarHBondContact O-CA 3.46Å; I94-I127 HydrophobicContact CB-CG1 4.41Å; I94-I127 HydrophobicContact CD1-CG1 4.38Å; I94-I127 HydrophobicContact CG1-CG1 4.06Å; I94-I127 HydrophobicContact CG1-CG2 4.38Å; I94-I127 HydrophobicContact CG2-CG1 3.92Å; I127-I139 HydrophobicContact CG2-CB 4.21Å; I127-I139 HydrophobicContact CG2-CD1 4.39Å; I127-I139 HydrophobicContact CG2-CG2 4.37Å; I127-I139 WeakPolarHBondContact O-CA 3.25Å; I127-I139 WeakPolarHBondContact O-CB 3.38Å; I127-I139 PolarHBondContact O-N 3.3Å; I127-G140 PolarHBondContact N-O 3.32Å; I127-G140 PolarHBondContact O-N 2.82Å; I127-W166 HydrophobicContact CD1-CE3 4.15Å; I127-W166 HydrophobicContact CD1-CZ3 4.42Å; I127-W166 HydrophobicContact CG1-CZ3 4.49Å; I127-H174 HydrophobicContact CD1-CB 3.94Å; I127-L176 HydrophobicContact CB-CD2 4.46Å; I127-L176 HydrophobicContact CD1-CD2 3.4Å; I127-L176 HydrophobicContact CD1-CG 3.91Å; I127-L176 HydrophobicContact CG1-CD2 3.58Å; I127-P195 HydrophobicContact CD1-CG 4.08Å
128	G	95	Very high	88.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-164.2	175.5	0	0	0	0	0	113.8	R92 A93 W126 K137	R92-G128 CarbonylContact C-O 3.47Å; R92-G128 WeakPolarHBondContact CA-O 3.22Å; A93-G128 PolarHBondContact N-O 2.86Å; A93-G128 PolarHBondContact O-N 3.28Å; W126-G128 VanDerWaalsContact CH2-C 3.45Å; G128-K137 CarbonylContact C-O 3.44Å; G128-K137 WeakPolarHBondContact CA-O 3.42Å
129	T	94.8	Very high	90.1	Very high	16 Å²	16	51.1 Å²	51.1	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	147.5	174.9	64.1	0	0	0	0	110.9	E90 K136 K137	E90-T129 HydrophobicContact CG-CG2 4.13Å; E90-T129 WeakPolarHBondContact OE1-CG2 3.31Å; T129-K136 PolarHBondContact O-N 2.88Å; T129-K137 PolarHBondContact N-O 2.99Å; T129-K137 PolarHBondContact O-N 3.43Å; T129-K137 VanDerWaalsContact OG1-CB 3.3Å; T129-K137 WeakPolarHBondContact OG1-CB 3.43Å; T129-K137 PolarHBondContact OG1-N 3.18Å
130	L	93.5	Very high	91.7	Very high	46 Å²	46	43.8 Å²	43.8	24%	0.241	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.5	-179.4	-61.5	175.5	0	0	0	110.4	W48 A56 V60 A93 W126 N134	W48-L130 HydrophobicContact CH2-CD1 3.49Å; W48-L130 VanDerWaalsContact CH2-CD1 3.49Å; W48-L130 HydrophobicContact CZ2-CD1 3.48Å; W48-L130 VanDerWaalsContact CZ2-CD1 3.48Å; A56-L130 HydrophobicContact CB-CD1 3.86Å; V60-L130 HydrophobicContact CG2-CD2 3.95Å; A93-L130 HydrophobicContact CB-CD1 3.56Å; A93-L130 HydrophobicContact CB-CG 3.88Å; W126-L130 HydrophobicContact CH2-CD2 3.75Å; W126-L130 HydrophobicContact CH2-CG 4.26Å; W126-L130 HydrophobicContact CZ3-CD2 4.13Å; W126-L130 HydrophobicContact CZ3-CG 4.46Å; L130-N134 CarbonylContact C-O 3.59Å; L130-N134 VanDerWaalsContact CA-O 3.27Å; L130-N134 WeakPolarHBondContact CA-O 3.47Å
131	E	92.9	Very high	92.9	Very high	102 Å²	102	37.6 Å²	37.6	48%	0.477	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	116.2	170.1	-176.6	167.8	-104.1	0	0	107.4	E133 N134 K136	E131-E133 VanDerWaalsContact C-N 3.3Å; E131-E133 PolarHBondContact O-N 3.47Å; E131-N134 PolarHBondContact N-O 3.28Å; E131-N134 WeakPolarHBondContact O-CB 3.35Å; E131-N134 PolarHBondContact O-N 2.87Å; E131-K136 HydrophobicContact CB-CB 4.03Å; E131-K136 HydrophobicContact CB-CD 4.04Å; E131-K136 IonicContact OE1-NZ 3.41Å; E131-K136 PolarHBondContact OE1-NZ 3.26Å
132	N	89.5	Confident	93.4	Very high	126 Å²	126	36.7 Å²	36.7	67%	0.674	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	49.3	-175.1	-55.4	-36.7	0	0	0	112.7	N134	N132-N134 PolarHBondContact O-N 2.91Å; N132-N134 PolarHBondContact O-ND2 3.21Å
133	E	89.5	Confident	93.5	Very high	45 Å²	45	36.5 Å²	36.5	21%	0.21	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	11.6	-176.6	-57.9	80	-156.6	0	0	115.1	K52 K55 A56 N59 E131	K52-E133 HydrophobicContact CB-CG 4.1Å; K52-E133 WeakPolarHBondContact CD-OE1 3.34Å; K52-E133 HydrophobicContact CG-CG 4.46Å; K55-E133 HydrophobicContact CD-CB 4.48Å; A56-E133 WeakPolarHBondContact CA-O 3.45Å; A56-E133 HydrophobicContact CB-CB 4.09Å; A56-E133 HydrophobicContact CB-CG 4.49Å; N59-E133 WeakPolarHBondContact CB-O 3.42Å; N59-E133 PolarHBondContact ND2-O 3.41Å; E131-E133 VanDerWaalsContact C-N 3.3Å; E131-E133 PolarHBondContact O-N 3.47Å
134	N	92.4	Very high	93.5	Very high	81 Å²	81	36.8 Å²	36.8	43%	0.433	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	149.4	171.9	-65.6	-66.9	0	0	0	110.1	N59 L130 E131 N132 K136	N59-N134 PolarHBondContact ND2-OD1 2.76Å; L130-N134 CarbonylContact C-O 3.59Å; L130-N134 VanDerWaalsContact CA-O 3.27Å; L130-N134 WeakPolarHBondContact CA-O 3.47Å; E131-N134 PolarHBondContact N-O 3.28Å; E131-N134 WeakPolarHBondContact O-CB 3.35Å; E131-N134 PolarHBondContact O-N 2.87Å; N132-N134 PolarHBondContact O-N 2.91Å; N132-N134 PolarHBondContact O-ND2 3.21Å; N134-K136 PolarHBondContact O-N 2.84Å
135	Q	91	Very high	93.3	Very high	48 Å²	48	38.5 Å²	38.5	22%	0.224	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	119.6	175.7	179	-87.9	-58	0	0	109.9	V60 T63 W126 K137 I138	V60-Q135 HydrophobicContact CG2-CB 4.21Å; T63-Q135 VanDerWaalsContact CG2-OE1 3.24Å; W126-Q135 HydrophobicContact CZ2-CG 3.77Å; Q135-K137 VanDerWaalsContact NE2-C 3.27Å; Q135-I138 HydrophobicContact CG-CD1 4.46Å; Q135-I138 HydrophobicContact CG-CG1 3.77Å
136	K	93	Very high	92.8	Very high	124 Å²	124	39.9 Å²	39.9	54%	0.539	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-50.3	173.8	179.3	173.6	-172.2	156.4	0	111.5	T129 E131 N134	T129-K136 PolarHBondContact O-N 2.88Å; E131-K136 HydrophobicContact CB-CB 4.03Å; E131-K136 HydrophobicContact CB-CD 4.04Å; E131-K136 IonicContact OE1-NZ 3.41Å; E131-K136 PolarHBondContact OE1-NZ 3.26Å; N134-K136 PolarHBondContact O-N 2.84Å
137	K	92	Very high	92	Very high	99 Å²	99	42.9 Å²	42.9	43%	0.43	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.3	176.6	-172.8	180	176.2	-177.7	0	111.4	G128 T129 Q135	G128-K137 CarbonylContact C-O 3.44Å; G128-K137 WeakPolarHBondContact CA-O 3.42Å; T129-K137 PolarHBondContact N-O 2.99Å; T129-K137 PolarHBondContact O-N 3.43Å; T129-K137 VanDerWaalsContact OG1-CB 3.3Å; T129-K137 WeakPolarHBondContact OG1-CB 3.43Å; T129-K137 PolarHBondContact OG1-N 3.18Å; Q135-K137 VanDerWaalsContact NE2-C 3.27Å
138	I	91.9	Very high	91	Very high	38 Å²	38	46.2 Å²	46.2	20%	0.195	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	122	170.3	-55.7	-178.8	0	0	0	107.7	L64 Q135 Y193	L64-I138 HydrophobicContact CD2-CD1 4.13Å; Q135-I138 HydrophobicContact CG-CD1 4.46Å; Q135-I138 HydrophobicContact CG-CG1 3.77Å; I138-Y193 HydrophobicContact CG2-CD1 4.14Å; I138-Y193 HydrophobicContact CG2-CE1 4.08Å
139	I	92.1	Very high	90	Very high	33 Å²	33	47.9 Å²	47.9	17%	0.169	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-43.6	172.1	-63.3	172.8	0	0	0	109.1	R92 I127 P195	R92-I139 HydrophobicContact CG-CD1 4.07Å; I127-I139 HydrophobicContact CG2-CB 4.21Å; I127-I139 HydrophobicContact CG2-CD1 4.39Å; I127-I139 HydrophobicContact CG2-CG2 4.37Å; I127-I139 WeakPolarHBondContact O-CA 3.25Å; I127-I139 WeakPolarHBondContact O-CB 3.38Å; I127-I139 PolarHBondContact O-N 3.3Å; I139-P195 HydrophobicContact CG2-CB 3.96Å; I139-P195 HydrophobicContact CG2-CG 4.19Å
140	G	93.7	Very high	89.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	151.4	177.9	0	0	0	0	0	112.7	W126 I127 Y193	W126-G140 WeakPolarHBondContact CA-O 3.37Å; I127-G140 PolarHBondContact N-O 3.32Å; I127-G140 PolarHBondContact O-N 2.82Å; G140-Y193 CarbonylContact C-O 3.58Å; G140-Y193 WeakPolarHBondContact CA-O 3.27Å
141	A	95.9	Very high	88.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.6	170.5	0	0	0	0	0	111	L64 S125 I191 Y193	L64-A141 HydrophobicContact CD1-CB 4.36Å; L64-A141 HydrophobicContact CD2-CB 3.77Å; S125-A141 CarbonylContact O-C 3.5Å; S125-A141 VanDerWaalsContact O-CA 3.3Å; S125-A141 WeakPolarHBondContact O-CA 3.47Å; A141-I191 HydrophobicContact CB-CG2 4Å; A141-Y193 PolarHBondContact N-O 3.23Å; A141-Y193 CarbonylContact O-C 3.55Å; A141-Y193 WeakPolarHBondContact O-CA 3.41Å; A141-Y193 PolarHBondContact O-N 2.59Å
142	A	95.7	Very high	87.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.4	172.4	0	0	0	0	0	109.8	C124 S125 L176 I178 F189 I191 Y192	C124-A142 CarbonylContact C-O 3.55Å; C124-A142 WeakPolarHBondContact CA-O 3.15Å; S125-A142 PolarHBondContact N-O 3.41Å; S125-A142 PolarHBondContact O-N 3.37Å; A142-L176 HydrophobicContact CB-CD1 3.91Å; A142-I178 HydrophobicContact CB-CD1 4.07Å; A142-F189 HydrophobicContact CB-CD1 4.47Å; A142-F189 HydrophobicContact CB-CE1 4.36Å; A142-I191 CarbonylContact C-O 3.54Å; A142-I191 VanDerWaalsContact CA-O 3.24Å; A142-I191 WeakPolarHBondContact CA-O 3.43Å; A142-Y192 HydrophobicContact CB-CD2 4.2Å
143	C	95.3	Very high	87.2	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	126.7	177.1	-70.6	0	0	0	0	110	V122 F123 C124 F189 L190 I191	V122-C143 HydrophobicContact CG1-CB 4.34Å; F123-C143 CarbonylContact O-C 3.58Å; F123-C143 VanDerWaalsContact O-CA 3.25Å; F123-C143 WeakPolarHBondContact O-CA 3.49Å; C124-C143 HydrophobicContact CB-CB 4.2Å; C124-C143 WeakPolarHBondContact CB-SG 3.29Å; C124-C143 WeakPolarHBondContact SG-CB 3.41Å; C124-C143 CovalentContact SG-SG 2.04Å; C124-C143 PolarHBondContact SG-SG 2.96Å; C143-F189 CarbonylContact O-C 3.42Å; C143-F189 WeakPolarHBondContact O-CA 3.32Å; C143-L190 HydrophobicContact CB-CB 4.03Å; C143-L190 PolarHBondContact O-N 3.25Å; C143-I191 HydrophobicContact CB-CB 3.95Å; C143-I191 HydrophobicContact CB-CD1 4.32Å; C143-I191 HydrophobicContact CB-CG1 3.99Å; C143-I191 PolarHBondContact N-O 3.43Å; C143-I191 PolarHBondContact O-N 3.28Å
144	Y	92.9	Very high	86.6	Confident	9 Å²	9	50.9 Å²	50.9	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	145.5	-176.9	50.4	-92	0	0	0	112	V122 F123 Q146 I178 P179 V182 F189	V122-Y144 WeakPolarHBondContact CA-O 3.42Å; F123-Y144 HydrophobicContact CB-CE2 4.02Å; F123-Y144 PolarHBondContact N-O 2.91Å; F123-Y144 PolarHBondContact O-N 3.4Å; Y144-Q146 HydrophobicContact CD2-CB 4.46Å; Y144-I178 HydrophobicContact CE1-CD1 4.35Å; Y144-P179 HydrophobicContact CE2-CG 4.25Å; Y144-P179 WeakPolarHBondContact OH-CD 3.3Å; Y144-P179 WeakPolarHBondContact OH-CG 3.43Å; Y144-V182 HydrophobicContact CD2-CB 4.23Å; Y144-V182 HydrophobicContact CD2-CG1 4.24Å; Y144-V182 HydrophobicContact CD2-CG2 3.71Å; Y144-V182 HydrophobicContact CE2-CG2 3.77Å; Y144-V182 HydrophobicContact CG-CG2 4.21Å; Y144-F189 HydrophobicContact CD1-CD1 4.04Å; Y144-F189 AromaticContact CD1-CE1 3.4Å; Y144-F189 HydrophobicContact CD1-CE1 3.4Å; Y144-F189 VanDerWaalsContact CD1-CE1 3.4Å; Y144-F189 AromaticContact CD1-CZ 3.86Å; Y144-F189 HydrophobicContact CD1-CZ 3.86Å; Y144-F189 HydrophobicContact CE1-CE1 4.31Å; Y144-F189 HydrophobicContact CG-CD1 4.45Å; Y144-F189 AromaticContact CG-CE1 3.95Å; Y144-F189 HydrophobicContact CG-CE1 3.95Å; Y144-F189 HydrophobicContact CG-CZ 4.06Å
145	P	90.1	Very high	85.9	Confident	38 Å²	38	51.2 Å²	51.2	25%	0.247	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.5	171.5	31.1	-32.1	0	0	0	110.1	K120 D121 V122 N188	K120-P145 HydrophobicContact CB-CB 3.96Å; K120-P145 HydrophobicContact CD-CB 4.22Å; D121-P145 CarbonylContact O-C 3.54Å; D121-P145 WeakPolarHBondContact O-CA 3.46Å; V122-P145 HydrophobicContact CG2-CB 4.39Å; P145-N188 WeakPolarHBondContact CD-O 3.36Å
146	Q	84.6	Confident	85.3	Confident	28 Å²	28	51.5 Å²	51.5	13%	0.131	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	155.2	173.8	-169.5	168.9	-36.6	0	0	109.6	K120 D121 F123 Y144	K120-Q146 WeakPolarHBondContact CB-O 3.32Å; D121-Q146 PolarHBondContact N-O 2.76Å; D121-Q146 PolarHBondContact O-N 3.26Å; D121-Q146 VanDerWaalsContact O-O 3.1Å; F123-Q146 HydrophobicContact CD2-CB 3.9Å; F123-Q146 HydrophobicContact CE2-CB 4.14Å; Y144-Q146 HydrophobicContact CD2-CB 4.46Å
147	A	80.2	Confident	84.4	Confident	64 Å²	64	47 Å²	47	53%	0.529	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-59.2	150.5	168.1	0	0	0	0	0	109.9	M149	A147-M149 PolarHBondContact O-N 3.43Å
148	A	74.7	Confident	83.7	Confident	73 Å²	73	44.7 Å²	44.7	60%	0.603	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-54.7	126.6	174.7	0	0	0	0	0	109.5
149	M	75.2	Confident	83.1	Confident	34 Å²	34	48.1 Å²	48.1	17%	0.167	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-85.7	141	-177.6	178	175.9	-78.5	0	0	109.4	A147 E153 E154 L157	A147-M149 PolarHBondContact O-N 3.43Å; M149-E153 HydrophobicContact CE-CB 4.42Å; M149-E153 HydrophobicContact CG-CB 3.32Å; M149-E153 HydrophobicContact CG-CG 4.38Å; M149-E153 WeakPolarHBondContact CG-OE2 3.44Å; M149-E153 VanDerWaalsContact SD-C 3.56Å; M149-E153 HydrophobicContact SD-CB 3.49Å; M149-E153 WeakPolarHBondContact SD-CB 3.31Å; M149-E154 HydrophobicContact CB-CG 3.85Å; M149-E154 HydrophobicContact CG-CG 3.88Å; M149-E154 HydrophobicContact SD-CG 3.98Å; M149-L157 HydrophobicContact CE-CD1 4.31Å; M149-L157 HydrophobicContact SD-CD1 3.71Å; M149-L157 HydrophobicContact SD-CG 4.27Å
150	P	77.7	Confident	82.4	Confident	77 Å²	77	48.9 Å²	48.9	50%	0.5	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-55.4	144	172.4	-23.1	33.1	0	0	0	111	E152 E153 E154	P150-E152 PolarHBondContact O-N 3.19Å; P150-E152 VanDerWaalsContact O-N 3.11Å; P150-E153 PolarHBondContact O-N 3.24Å; P150-E154 PolarHBondContact O-N 3.04Å
151	A	78.2	Confident	81.9	Confident	75 Å²	75	52 Å²	52	62%	0.62	31%	0.311	S	S	*	.	H	α-helix	trans	-54.5	-36.1	-177.5	0	0	0	0	0	112.9	E153 E154 T155	A151-E153 PolarHBondContact O-N 2.55Å; A151-E154 PolarHBondContact O-N 2.77Å; A151-T155 PolarHBondContact O-N 2.68Å; A151-T155 PolarHBondContact O-OG1 2.7Å; A151-T155 VanDerWaalsContact O-OG1 3.12Å
152	E	78.1	Confident	81.5	Confident	123 Å²	123	52.1 Å²	52.1	58%	0.575	31%	0.311	S	S	*	.	H	α-helix	trans	-61.4	-41.4	176.6	-167.7	-165.8	148.8	0	0	112.7	P150 T155 K156	P150-E152 PolarHBondContact O-N 3.19Å; P150-E152 VanDerWaalsContact O-N 3.11Å; E152-T155 PolarHBondContact O-N 2.96Å; E152-K156 WeakPolarHBondContact O-CG 3.3Å; E152-K156 PolarHBondContact O-N 3.06Å; E152-K156 VanDerWaalsContact O-N 3.14Å; E152-K156 WeakPolarHBondContact OE1-CE 3.38Å; E152-K156 IonicContact OE1-NZ 3.61Å; E152-K156 PolarHBondContact OE1-NZ 3.25Å
153	E	77	Confident	81.1	Confident	95 Å²	95	52.6 Å²	52.6	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-71.4	-37.2	176	-74.3	-177.6	-168.7	0	0	111.4	M149 P150 A151 T155 K156 L157	M149-E153 HydrophobicContact CE-CB 4.42Å; M149-E153 HydrophobicContact CG-CB 3.32Å; M149-E153 HydrophobicContact CG-CG 4.38Å; M149-E153 WeakPolarHBondContact CG-OE2 3.44Å; M149-E153 VanDerWaalsContact SD-C 3.56Å; M149-E153 HydrophobicContact SD-CB 3.49Å; M149-E153 WeakPolarHBondContact SD-CB 3.31Å; P150-E153 PolarHBondContact O-N 3.24Å; A151-E153 PolarHBondContact O-N 2.55Å; E153-T155 VanDerWaalsContact C-N 3.3Å; E153-T155 PolarHBondContact O-N 3.39Å; E153-K156 WeakPolarHBondContact O-CB 3.35Å; E153-K156 PolarHBondContact O-N 3.08Å; E153-L157 PolarHBondContact O-N 2.81Å; E153-L157 VanDerWaalsContact O-N 3.15Å
154	E	76.3	Confident	80.6	Confident	28 Å²	28	54.9 Å²	54.9	13%	0.131	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-35.3	174.8	-71.9	-162.3	160.6	0	0	112.4	K78 H80 K98 M149 P150 A151 L157	K78-E154 IonicContact NZ-OE2 2.71Å; K78-E154 PolarHBondContact NZ-OE2 3.22Å; H80-E154 IonicContact CE1-OE1 3.12Å; H80-E154 IonicContact CE1-OE2 2.63Å; K98-E154 IonicContact NZ-OE1 2.94Å; K98-E154 PolarHBondContact NZ-OE1 3.12Å; M149-E154 HydrophobicContact CB-CG 3.85Å; M149-E154 HydrophobicContact CG-CG 3.88Å; M149-E154 HydrophobicContact SD-CG 3.98Å; P150-E154 PolarHBondContact O-N 3.04Å; A151-E154 PolarHBondContact O-N 2.77Å; E154-L157 WeakPolarHBondContact O-CB 3.23Å; E154-L157 PolarHBondContact O-N 3.22Å
155	T	78.4	Confident	80	Confident	88 Å²	88	58.3 Å²	58.3	54%	0.54	35%	0.347	S	S	.	.	H	α-helix	trans	-68.2	-41	173.8	-58.9	0	0	0	0	111.2	A151 E152 E153 L157 A158	A151-T155 PolarHBondContact O-N 2.68Å; A151-T155 PolarHBondContact O-OG1 2.7Å; A151-T155 VanDerWaalsContact O-OG1 3.12Å; E152-T155 PolarHBondContact O-N 2.96Å; E153-T155 VanDerWaalsContact C-N 3.3Å; E153-T155 PolarHBondContact O-N 3.39Å; T155-L157 PolarHBondContact O-N 2.81Å; T155-A158 VanDerWaalsContact O-CB 3.28Å; T155-A158 WeakPolarHBondContact O-CB 3.41Å; T155-A158 PolarHBondContact O-N 2.9Å
156	K	77.8	Confident	79.9	Confident	55 Å²	55	57.3 Å²	57.3	24%	0.239	34%	0.338	C	S	.	.	H	α-helix	trans	-60	-32.3	176.7	-72.7	164.9	-175.4	171.7	0	112.8	E152 E153 A158 D159 I160 V266	E152-K156 WeakPolarHBondContact O-CG 3.3Å; E152-K156 PolarHBondContact O-N 3.06Å; E152-K156 VanDerWaalsContact O-N 3.14Å; E152-K156 WeakPolarHBondContact OE1-CE 3.38Å; E152-K156 IonicContact OE1-NZ 3.61Å; E152-K156 PolarHBondContact OE1-NZ 3.25Å; E153-K156 WeakPolarHBondContact O-CB 3.35Å; E153-K156 PolarHBondContact O-N 3.08Å; K156-A158 PolarHBondContact O-N 3.3Å; K156-D159 PolarHBondContact O-N 3.48Å; K156-I160 WeakPolarHBondContact O-CG1 3.41Å; K156-V266 HydrophobicContact CB-CG2 4.27Å; K156-V266 HydrophobicContact CD-CG1 3.65Å; K156-V266 HydrophobicContact CD-CG2 4.02Å; K156-V266 HydrophobicContact CG-CG1 4.28Å; K156-V266 HydrophobicContact CG-CG2 3.95Å
157	L	75.7	Confident	80	Confident	30 Å²	30	57.5 Å²	57.5	16%	0.157	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-30.6	174.2	-69.3	175.2	0	0	0	112.7	V81 L96 F123 M149 E153 E154 T155 D159 I160	V81-L157 WeakPolarHBondContact CG1-O 3.46Å; L96-L157 HydrophobicContact CD2-CB 4.27Å; L96-L157 HydrophobicContact CD2-CD1 4.11Å; L96-L157 HydrophobicContact CD2-CD2 4Å; L96-L157 HydrophobicContact CD2-CG 4.37Å; F123-L157 HydrophobicContact CE1-CD1 4.5Å; M149-L157 HydrophobicContact CE-CD1 4.31Å; M149-L157 HydrophobicContact SD-CD1 3.71Å; M149-L157 HydrophobicContact SD-CG 4.27Å; E153-L157 PolarHBondContact O-N 2.81Å; E153-L157 VanDerWaalsContact O-N 3.15Å; E154-L157 WeakPolarHBondContact O-CB 3.23Å; E154-L157 PolarHBondContact O-N 3.22Å; T155-L157 PolarHBondContact O-N 2.81Å; L157-D159 VanDerWaalsContact C-N 3.3Å; L157-I160 HydrophobicContact CD2-CD1 3.8Å
158	A	75.9	Confident	80.1	Confident	50 Å²	50	54.5 Å²	54.5	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-71.3	-26.2	179.1	0	0	0	0	0	112.7	T155 K156	T155-A158 VanDerWaalsContact O-CB 3.28Å; T155-A158 WeakPolarHBondContact O-CB 3.41Å; T155-A158 PolarHBondContact O-N 2.9Å; K156-A158 PolarHBondContact O-N 3.3Å
159	D	78.9	Confident	80.1	Confident	110 Å²	110	52.3 Å²	52.3	59%	0.588	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	2.5	-176.1	-63.6	-32.5	0	0	0	113.7	K156 L157	K156-D159 PolarHBondContact O-N 3.48Å; L157-D159 VanDerWaalsContact C-N 3.3Å
160	I	77.9	Confident	79.9	Confident	48 Å²	48	53.4 Å²	53.4	25%	0.246	31%	0.31	C	S	.	.			trans	-75.5	126.8	-179	-58.6	-179.1	0	0	0	110.1	K156 L157 L162 E165	K156-I160 WeakPolarHBondContact O-CG1 3.41Å; L157-I160 HydrophobicContact CD2-CD1 3.8Å; I160-L162 VanDerWaalsContact C-N 3.3Å; I160-L162 HydrophobicContact CB-CD2 4.24Å; I160-L162 HydrophobicContact CG2-CD2 3.76Å; I160-L162 HydrophobicContact CG2-CG 4.39Å; I160-L162 PolarHBondContact O-N 2.91Å; I160-E165 HydrophobicContact CG2-CB 4.18Å; I160-E165 HydrophobicContact CG2-CG 3.99Å
161	D	84.4	Confident	79.8	Confident	67 Å²	67	53 Å²	53	36%	0.358	31%	0.306	S	S	.	.			trans	-75.1	84.9	164.7	-179.3	9.2	0	0	0	110.2	C163 S164 E165	D161-C163 PolarHBondContact O-N 2.71Å; D161-C163 PolarHBondContact OD1-N 3.38Å; D161-C163 VanDerWaalsContact OD1-N 3.16Å; D161-S164 PolarHBondContact O-N 2.92Å; D161-S164 PolarHBondContact OD1-N 2.92Å; D161-S164 VanDerWaalsContact OD2-CB 3.26Å; D161-S164 WeakPolarHBondContact OD2-CB 3.3Å; D161-S164 PolarHBondContact OD2-OG 3.23Å; D161-E165 VanDerWaalsContact O-CB 3.32Å; D161-E165 WeakPolarHBondContact O-CB 3.44Å; D161-E165 WeakPolarHBondContact O-CG 3.49Å; D161-E165 PolarHBondContact O-N 2.56Å
162	L	86.2	Confident	79.9	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-27.6	-179.4	-62.2	177.9	0	0	0	112.9	V81 V83 I94 I160 W166	V81-L162 HydrophobicContact CB-CD1 4.35Å; V81-L162 HydrophobicContact CG1-CD1 3.62Å; V81-L162 HydrophobicContact CG1-CD2 4.46Å; V81-L162 HydrophobicContact CG1-CG 4.24Å; V81-L162 HydrophobicContact CG2-CD1 3.88Å; V81-L162 HydrophobicContact CG2-CG 4.26Å; V83-L162 HydrophobicContact CG2-CB 3.8Å; V83-L162 HydrophobicContact CG2-CD1 4.2Å; V83-L162 HydrophobicContact CG2-CG 4.49Å; I94-L162 HydrophobicContact CB-CD1 4.31Å; I94-L162 HydrophobicContact CG2-CB 4.34Å; I94-L162 HydrophobicContact CG2-CD1 3.83Å; I160-L162 VanDerWaalsContact C-N 3.3Å; I160-L162 HydrophobicContact CB-CD2 4.24Å; I160-L162 HydrophobicContact CG2-CD2 3.76Å; I160-L162 HydrophobicContact CG2-CG 4.39Å; I160-L162 PolarHBondContact O-N 2.91Å; L162-W166 HydrophobicContact CD2-CD2 4.1Å; L162-W166 HydrophobicContact CD2-CG 4.42Å; L162-W166 HydrophobicContact CD2-CH2 4.46Å; L162-W166 HydrophobicContact CD2-CZ2 3.77Å; L162-W166 WeakPolarHBondContact O-CB 3.47Å; L162-W166 PolarHBondContact O-N 3.41Å; L162-W166 VanDerWaalsContact O-N 3.1Å
163	C	88.6	Confident	80.3	Confident	11 Å²	11	45.5 Å²	45.5	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-68.2	-40.3	-179.2	-61.9	0	0	0	0	111.3	C85 D161 M167 H174	C85-C163 WeakPolarHBondContact CA-SG 3.46Å; C85-C163 HydrophobicContact CB-CB 3.83Å; C85-C163 WeakPolarHBondContact CB-SG 3.21Å; C85-C163 WeakPolarHBondContact SG-CA 3.11Å; C85-C163 WeakPolarHBondContact SG-CB 3.43Å; C85-C163 CovalentContact SG-SG 2.04Å; C85-C163 PolarHBondContact SG-SG 2.87Å; D161-C163 PolarHBondContact O-N 2.71Å; D161-C163 PolarHBondContact OD1-N 3.38Å; D161-C163 VanDerWaalsContact OD1-N 3.16Å; C163-M167 WeakPolarHBondContact O-CB 3.35Å; C163-H174 PolarHBondContact O-NE2 2.89Å; C163-H174 VanDerWaalsContact O-NE2 3.14Å
164	S	83.4	Confident	80.9	Confident	48 Å²	48	41.2 Å²	41.2	34%	0.336	24%	0.244	S	C	.	.	H	α-helix	trans	-81.5	-47.9	177.9	-57.5	0	0	0	0	111.5	D161 W166 M167	D161-S164 PolarHBondContact O-N 2.92Å; D161-S164 PolarHBondContact OD1-N 2.92Å; D161-S164 VanDerWaalsContact OD2-CB 3.26Å; D161-S164 WeakPolarHBondContact OD2-CB 3.3Å; D161-S164 PolarHBondContact OD2-OG 3.23Å; S164-W166 VanDerWaalsContact C-N 3.34Å; S164-W166 PolarHBondContact O-N 2.83Å; S164-M167 WeakPolarHBondContact O-CB 3.36Å; S164-M167 PolarHBondContact O-N 2.97Å
165	E	81.9	Confident	81.7	Confident	82 Å²	82	42.3 Å²	42.3	38%	0.383	25%	0.248	S	C	.	.	H	α-helix	trans	-68.8	-31.5	-172.6	-70.4	-62.8	135.7	0	0	113.4	I160 D161	I160-E165 HydrophobicContact CG2-CB 4.18Å; I160-E165 HydrophobicContact CG2-CG 3.99Å; D161-E165 VanDerWaalsContact O-CB 3.32Å; D161-E165 WeakPolarHBondContact O-CB 3.44Å; D161-E165 WeakPolarHBondContact O-CG 3.49Å; D161-E165 PolarHBondContact O-N 2.56Å
166	W	87.8	Confident	82.3	Confident	17 Å²	17	38.1 Å²	38.1	6%	0.064	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-3.2	-179.8	-67.8	20.7	0	0	0	112.7	I94 S125 I127 L162 S164 F168 H174 R175 L176 V177	I94-W166 HydrophobicContact CG2-CE3 3.67Å; I94-W166 HydrophobicContact CG2-CH2 4.35Å; I94-W166 HydrophobicContact CG2-CZ3 3.52Å; S125-W166 WeakPolarHBondContact OG-CH2 3.4Å; I127-W166 HydrophobicContact CD1-CE3 4.15Å; I127-W166 HydrophobicContact CD1-CZ3 4.42Å; I127-W166 HydrophobicContact CG1-CZ3 4.49Å; L162-W166 HydrophobicContact CD2-CD2 4.1Å; L162-W166 HydrophobicContact CD2-CG 4.42Å; L162-W166 HydrophobicContact CD2-CH2 4.46Å; L162-W166 HydrophobicContact CD2-CZ2 3.77Å; L162-W166 WeakPolarHBondContact O-CB 3.47Å; L162-W166 PolarHBondContact O-N 3.41Å; L162-W166 VanDerWaalsContact O-N 3.1Å; S164-W166 VanDerWaalsContact C-N 3.34Å; S164-W166 PolarHBondContact O-N 2.83Å; W166-F168 PolarHBondContact O-N 3.06Å; W166-H174 CarbonylContact O-C 3.55Å; W166-H174 VanDerWaalsContact O-CA 3.27Å; W166-H174 WeakPolarHBondContact O-CA 3.42Å; W166-R175 WeakPolarHBondContact CB-O 3.42Å; W166-R175 WeakPolarHBondContact O-CG 3.38Å; W166-R175 PolarHBondContact O-N 3.27Å; W166-L176 HydrophobicContact CE3-CD2 4.45Å; W166-L176 HydrophobicContact CZ3-CD2 3.79Å; W166-V177 HydrophobicContact CB-CG2 4.35Å; W166-V177 HydrophobicContact CD2-CB 4.36Å; W166-V177 HydrophobicContact CD2-CG2 4.15Å; W166-V177 HydrophobicContact CG-CB 4.39Å; W166-V177 HydrophobicContact CG-CG2 3.71Å; W166-V177 HydrophobicContact CZ2-CB 4.41Å
167	M	86.2	Confident	82.8	Confident	31 Å²	31	38 Å²	38	15%	0.153	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-63.2	130.9	173.6	-164.6	66	68.2	0	0	110.2	C163 S164 G169 H174	C163-M167 WeakPolarHBondContact O-CB 3.35Å; S164-M167 WeakPolarHBondContact O-CB 3.36Å; S164-M167 PolarHBondContact O-N 2.97Å; M167-G169 WeakPolarHBondContact CG-O 3.38Å; M167-G169 PolarHBondContact O-N 3.49Å; M167-H174 WeakPolarHBondContact CE-CE1 3.48Å; M167-H174 WeakPolarHBondContact CE-NE2 3.46Å
168	F	82.4	Confident	83.4	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.009	22%	0.221	C	C	.	.			trans	-88.5	85.3	177.2	-174.8	-112.9	0	0	0	109.9	W166 S170 T171 V173 T197 L222 P227 Y337 T339	W166-F168 PolarHBondContact O-N 3.06Å; F168-S170 PolarHBondContact O-N 3.11Å; F168-T171 HydrophobicContact CD1-CG2 3.91Å; F168-T171 HydrophobicContact CE1-CG2 4.35Å; F168-T171 WeakPolarHBondContact O-CB 3.41Å; F168-T171 WeakPolarHBondContact O-CG2 3.26Å; F168-T171 PolarHBondContact O-N 3.26Å; F168-T171 PolarHBondContact O-OG1 3.17Å; F168-V173 WeakPolarHBondContact CB-O 3.37Å; F168-V173 PolarHBondContact N-O 2.96Å; F168-T197 HydrophobicContact CE1-CG2 4.06Å; F168-L222 HydrophobicContact CB-CD2 4.09Å; F168-L222 HydrophobicContact CD1-CD2 3.6Å; F168-L222 HydrophobicContact CD2-CD2 3.49Å; F168-L222 VanDerWaalsContact CD2-CD2 3.49Å; F168-L222 HydrophobicContact CE1-CD2 3.74Å; F168-L222 HydrophobicContact CE2-CD2 3.62Å; F168-L222 HydrophobicContact CG-CD2 3.46Å; F168-L222 VanDerWaalsContact CG-CD2 3.46Å; F168-L222 HydrophobicContact CZ-CD2 3.75Å; F168-P227 HydrophobicContact CZ-CG 4.5Å; F168-Y337 HydrophobicContact CD2-CD1 4.37Å; F168-Y337 VanDerWaalsContact CE2-CA 3.46Å; F168-Y337 HydrophobicContact CE2-CD1 4.16Å; F168-Y337 WeakPolarHBondContact CE2-O 3.34Å; F168-Y337 HydrophobicContact CZ-CD1 4.4Å; F168-Y337 WeakPolarHBondContact CZ-O 3.49Å; F168-T339 HydrophobicContact CZ-CG2 3.99Å
169	G	74.8	Confident	83.9	Confident	27 Å²	27	36.6 Å²	36.6	28%	0.278	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-136.8	-175.6	0	0	0	0	0	111.6	M167 Y337	M167-G169 WeakPolarHBondContact CG-O 3.38Å; M167-G169 PolarHBondContact O-N 3.49Å; G169-Y337 VanDerWaalsContact CA-CE1 3.41Å
170	S	71.5	Confident	84	Confident	56 Å²	56	35 Å²	35	39%	0.392	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	20.1	176	51.7	0	0	0	0	113.4	P34 F168 G172	P34-S170 WeakPolarHBondContact CG-OG 3.42Å; F168-S170 PolarHBondContact O-N 3.11Å; S170-G172 VanDerWaalsContact C-N 3.34Å; S170-G172 PolarHBondContact O-N 3.02Å
171	T	74.5	Confident	84.3	Confident	69 Å²	69	39.4 Å²	39.4	42%	0.423	23%	0.23	S	C	.	.	S	Bend	trans	-80.3	-10.8	-172.7	64.8	0	0	0	0	114.6	F168 V173	F168-T171 HydrophobicContact CD1-CG2 3.91Å; F168-T171 HydrophobicContact CE1-CG2 4.35Å; F168-T171 WeakPolarHBondContact O-CB 3.41Å; F168-T171 WeakPolarHBondContact O-CG2 3.26Å; F168-T171 PolarHBondContact O-N 3.26Å; F168-T171 PolarHBondContact O-OG1 3.17Å; T171-V173 PolarHBondContact O-N 3.45Å; T171-V173 PolarHBondContact OG1-N 3.07Å
172	G	81	Confident	84.4	Confident	18 Å²	18	36.8 Å²	36.8	19%	0.186	22%	0.216	C	C	.	.	S	Bend	trans	70	7.5	-170.3	0	0	0	0	0	113.9	V87 R92 S170	V87-G172 WeakPolarHBondContact CG1-O 3.25Å; R92-G172 PolarHBondContact NH1-O 2.76Å; R92-G172 VanDerWaalsContact NH1-O 3.17Å; S170-G172 VanDerWaalsContact C-N 3.34Å; S170-G172 PolarHBondContact O-N 3.02Å
173	V	85.8	Confident	84.6	Confident	23 Å²	23	37.2 Å²	37.2	14%	0.139	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-99.5	134.9	175	-176.5	0	0	0	0	109	F168 T171 L222	F168-V173 WeakPolarHBondContact CB-O 3.37Å; F168-V173 PolarHBondContact N-O 2.96Å; T171-V173 PolarHBondContact O-N 3.45Å; T171-V173 PolarHBondContact OG1-N 3.07Å; V173-L222 HydrophobicContact CG1-CD1 3.67Å
174	H	90.8	Very high	84.7	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.019	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-96.9	137.2	170.1	-67.2	79.3	0	0	0	109.4	V87 I94 I127 C163 W166 M167 P195	V87-H174 WeakPolarHBondContact CG2-CE1 3.4Å; I94-H174 HydrophobicContact CD1-CB 4.17Å; I94-H174 VanDerWaalsContact CD1-CD2 3.43Å; I94-H174 WeakPolarHBondContact CD1-CD2 3.47Å; I127-H174 HydrophobicContact CD1-CB 3.94Å; C163-H174 PolarHBondContact O-NE2 2.89Å; C163-H174 VanDerWaalsContact O-NE2 3.14Å; W166-H174 CarbonylContact O-C 3.55Å; W166-H174 VanDerWaalsContact O-CA 3.27Å; W166-H174 WeakPolarHBondContact O-CA 3.42Å; M167-H174 WeakPolarHBondContact CE-CE1 3.48Å; M167-H174 WeakPolarHBondContact CE-NE2 3.46Å; H174-P195 WeakPolarHBondContact O-CG 3.42Å
175	R	91.3	Very high	85.1	Confident	52 Å²	52	41 Å²	41	20%	0.196	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-95.6	154	171.2	62.4	175.4	176.1	-163.4	-4.8	111	W166 V177 L222 P336	W166-R175 WeakPolarHBondContact CB-O 3.42Å; W166-R175 WeakPolarHBondContact O-CG 3.38Å; W166-R175 PolarHBondContact O-N 3.27Å; R175-V177 HydrophobicContact CG-CG2 3.99Å; R175-V177 PolarHBondContact O-N 2.79Å; R175-L222 HydrophobicContact CB-CB 3.82Å; R175-L222 HydrophobicContact CB-CD1 4.32Å; R175-L222 HydrophobicContact CB-CD2 4.37Å; R175-L222 HydrophobicContact CB-CG 4.42Å; R175-P336 PolarHBondContact NH1-O 2.86Å
176	L	92.2	Very high	85.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.			trans	-84.1	91.1	169.5	-65.8	172	0	0	0	109.1	I127 A142 W166 I178 P195 G221	I127-L176 HydrophobicContact CB-CD2 4.46Å; I127-L176 HydrophobicContact CD1-CD2 3.4Å; I127-L176 HydrophobicContact CD1-CG 3.91Å; I127-L176 HydrophobicContact CG1-CD2 3.58Å; A142-L176 HydrophobicContact CB-CD1 3.91Å; W166-L176 HydrophobicContact CE3-CD2 4.45Å; W166-L176 HydrophobicContact CZ3-CD2 3.79Å; L176-I178 HydrophobicContact CB-CD1 4.45Å; L176-I178 WeakPolarHBondContact O-CD1 3.38Å; L176-I178 VanDerWaalsContact O-CG1 3.31Å; L176-I178 WeakPolarHBondContact O-CG1 3.12Å; L176-I178 PolarHBondContact O-N 3.05Å; L176-I178 VanDerWaalsContact O-N 3.07Å; L176-P195 HydrophobicContact CG-CG 4.32Å; L176-G221 PolarHBondContact N-O 3.15Å; L176-G221 VanDerWaalsContact O-CA 3.31Å; L176-G221 WeakPolarHBondContact O-CA 3.34Å
177	V	87.9	Confident	85.5	Confident	51 Å²	51	45.3 Å²	45.3	31%	0.309	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-57.7	120.5	-176.8	177.6	0	0	0	0	110.6	W166 R175	W166-V177 HydrophobicContact CB-CG2 4.35Å; W166-V177 HydrophobicContact CD2-CB 4.36Å; W166-V177 HydrophobicContact CD2-CG2 4.15Å; W166-V177 HydrophobicContact CG-CB 4.39Å; W166-V177 HydrophobicContact CG-CG2 3.71Å; W166-V177 HydrophobicContact CZ2-CB 4.41Å; R175-V177 HydrophobicContact CG-CG2 3.99Å; R175-V177 PolarHBondContact O-N 2.79Å
178	I	87.7	Confident	85.6	Confident	15 Å²	15	49.8 Å²	49.8	8%	0.077	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-100	124.9	179.7	-52.7	-53.4	0	0	0	109.3	A142 Y144 L176 V182 F189 Y192	A142-I178 HydrophobicContact CB-CD1 4.07Å; Y144-I178 HydrophobicContact CE1-CD1 4.35Å; L176-I178 HydrophobicContact CB-CD1 4.45Å; L176-I178 WeakPolarHBondContact O-CD1 3.38Å; L176-I178 VanDerWaalsContact O-CG1 3.31Å; L176-I178 WeakPolarHBondContact O-CG1 3.12Å; L176-I178 PolarHBondContact O-N 3.05Å; L176-I178 VanDerWaalsContact O-N 3.07Å; I178-V182 HydrophobicContact CG2-CG2 3.93Å; I178-F189 HydrophobicContact CD1-CE1 4.13Å; I178-F189 HydrophobicContact CG2-CE1 4.4Å; I178-F189 HydrophobicContact CG2-CZ 3.77Å; I178-Y192 HydrophobicContact CD1-CE2 4.31Å; I178-Y192 HydrophobicContact CG1-CE2 4.32Å
179	P	85.9	Confident	86.1	Confident	37 Å²	37	50.7 Å²	50.7	24%	0.24	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-58.7	143.6	176.6	-21.4	31	0	0	0	111.8	Y144 Q181 V182 S183	Y144-P179 HydrophobicContact CE2-CG 4.25Å; Y144-P179 WeakPolarHBondContact OH-CD 3.3Å; Y144-P179 WeakPolarHBondContact OH-CG 3.43Å; P179-Q181 VanDerWaalsContact CB-OE1 3.28Å; P179-Q181 PolarHBondContact O-N 2.89Å; P179-Q181 VanDerWaalsContact O-N 3.17Å; P179-V182 HydrophobicContact CB-CG2 4.05Å; P179-V182 HydrophobicContact CG-CG2 4.2Å; P179-V182 WeakPolarHBondContact O-CG2 3.42Å; P179-V182 PolarHBondContact O-N 2.92Å; P179-V182 VanDerWaalsContact O-N 3.1Å; P179-S183 WeakPolarHBondContact O-CB 3.28Å; P179-S183 PolarHBondContact O-N 3Å
180	S	82.2	Confident	86.9	Confident	76 Å²	76	51.8 Å²	51.8	53%	0.531	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28.1	-175.2	50	0	0	0	0	113.7	V182 S183	S180-V182 PolarHBondContact O-N 2.67Å; S180-S183 PolarHBondContact O-OG 3.36Å
181	Q	83.6	Confident	88	Confident	141 Å²	141	49.2 Å²	49.2	66%	0.659	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.2	-179.9	-55.3	83.6	-3.1	0	0	112.7	P179	P179-Q181 VanDerWaalsContact CB-OE1 3.28Å; P179-Q181 PolarHBondContact O-N 2.89Å; P179-Q181 VanDerWaalsContact O-N 3.17Å
182	V	87.1	Confident	88.9	Confident	11 Å²	11	48.6 Å²	48.6	7%	0.067	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-4.1	-175.6	-64.8	0	0	0	0	112.9	Y144 I178 P179 S180 T184 T187 F189	Y144-V182 HydrophobicContact CD2-CB 4.23Å; Y144-V182 HydrophobicContact CD2-CG1 4.24Å; Y144-V182 HydrophobicContact CD2-CG2 3.71Å; Y144-V182 HydrophobicContact CE2-CG2 3.77Å; Y144-V182 HydrophobicContact CG-CG2 4.21Å; I178-V182 HydrophobicContact CG2-CG2 3.93Å; P179-V182 HydrophobicContact CB-CG2 4.05Å; P179-V182 HydrophobicContact CG-CG2 4.2Å; P179-V182 WeakPolarHBondContact O-CG2 3.42Å; P179-V182 PolarHBondContact O-N 2.92Å; P179-V182 VanDerWaalsContact O-N 3.1Å; S180-V182 PolarHBondContact O-N 2.67Å; V182-T184 VanDerWaalsContact C-N 3.25Å; V182-T184 PolarHBondContact O-N 2.92Å; V182-T187 HydrophobicContact CB-CG2 4.06Å; V182-T187 HydrophobicContact CG1-CG2 4.46Å; V182-T187 WeakPolarHBondContact O-CB 3.29Å; V182-T187 WeakPolarHBondContact O-CG2 3.45Å; V182-T187 PolarHBondContact O-OG1 2.86Å; V182-F189 WeakPolarHBondContact O-CE2 3.28Å
183	S	90.5	Very high	89.5	Confident	10 Å²	10	50.8 Å²	50.8	7%	0.07	26%	0.262	C	S	.	.			trans	-71	-13.6	-172.8	65.8	0	0	0	0	114.9	P179 S180 R218 R219	P179-S183 WeakPolarHBondContact O-CB 3.28Å; P179-S183 PolarHBondContact O-N 3Å; S180-S183 PolarHBondContact O-OG 3.36Å; S183-R218 CarbonylContact O-C 3.57Å; S183-R218 WeakPolarHBondContact O-CA 3.34Å; S183-R219 WeakPolarHBondContact O-CB 3.3Å; S183-R219 PolarHBondContact O-N 3.26Å
184	T	91.2	Very high	89.8	Confident	60 Å²	60	50.2 Å²	50.2	37%	0.368	26%	0.259	S	S	.	.	S	Bend	trans	-62.6	152.4	178.8	80.4	0	0	0	0	112.1	V182 N186 T187 R219	V182-T184 VanDerWaalsContact C-N 3.25Å; V182-T184 PolarHBondContact O-N 2.92Å; T184-N186 PolarHBondContact O-N 3.44Å; T184-T187 WeakPolarHBondContact O-CB 3.33Å; T184-T187 PolarHBondContact O-N 2.88Å; T184-T187 PolarHBondContact O-OG1 3.39Å; T184-T187 PolarHBondContact OG1-N 3.45Å; T184-T187 PolarHBondContact OG1-OG1 2.92Å; T184-T187 VanDerWaalsContact OG1-OG1 3.13Å; T184-R219 PolarHBondContact O-NH1 3.43Å
185	W	90.2	Very high	89.9	Confident	80 Å²	80	50 Å²	50	30%	0.303	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-25	177	-70.5	99.5	0	0	0	114	T187 Y192 V214 N215 R219 D340	W185-T187 PolarHBondContact O-N 2.85Å; W185-Y192 HydrophobicContact CH2-CE1 4.41Å; W185-V214 HydrophobicContact CD2-CG1 3.97Å; W185-V214 VanDerWaalsContact CE2-CG1 3.42Å; W185-V214 HydrophobicContact CE3-CG1 4.4Å; W185-V214 HydrophobicContact CH2-CG1 3.95Å; W185-V214 HydrophobicContact CZ2-CG1 3.43Å; W185-V214 VanDerWaalsContact CZ2-CG1 3.43Å; W185-V214 HydrophobicContact CZ3-CG1 4.4Å; W185-N215 PolarHBondContact NE1-O 2.97Å; W185-R219 HydrophobicContact CD2-CG 3.86Å; W185-R219 HydrophobicContact CE3-CG 3.84Å; W185-R219 VanDerWaalsContact CE3-NE 3.28Å; W185-R219 HydrophobicContact CH2-CG 3.74Å; W185-R219 HydrophobicContact CZ2-CG 3.75Å; W185-R219 HydrophobicContact CZ3-CG 3.78Å; W185-R219 PolarHBondContact O-NH1 2.91Å; W185-R219 PolarHBondContact O-NH2 3.25Å; W185-D340 HydrophobicContact CH2-CB 4.4Å; W185-D340 HydrophobicContact CZ2-CB 4.34Å
186	N	89.6	Confident	89.8	Confident	160 Å²	160	48.2 Å²	48.2	86%	0.856	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-16.9	177.7	-65.1	-18	0	0	0	112.7	T184 N188	T184-N186 PolarHBondContact O-N 3.44Å; N186-N188 PolarHBondContact O-N 3.32Å
187	T	89	Confident	89.6	Confident	28 Å²	28	49.5 Å²	49.5	17%	0.172	26%	0.263	C	S	.	.	S	Bend	trans	-67.1	130.5	173.7	-51.3	0	0	0	0	109.8	V182 T184 W185 F189 R219	V182-T187 HydrophobicContact CB-CG2 4.06Å; V182-T187 HydrophobicContact CG1-CG2 4.46Å; V182-T187 WeakPolarHBondContact O-CB 3.29Å; V182-T187 WeakPolarHBondContact O-CG2 3.45Å; V182-T187 PolarHBondContact O-OG1 2.86Å; T184-T187 WeakPolarHBondContact O-CB 3.33Å; T184-T187 PolarHBondContact O-N 2.88Å; T184-T187 PolarHBondContact O-OG1 3.39Å; T184-T187 PolarHBondContact OG1-N 3.45Å; T184-T187 PolarHBondContact OG1-OG1 2.92Å; T184-T187 VanDerWaalsContact OG1-OG1 3.13Å; W185-T187 PolarHBondContact O-N 2.85Å; T187-F189 HydrophobicContact CG2-CD2 4.02Å; T187-F189 HydrophobicContact CG2-CE2 3.78Å; T187-F189 PolarHBondContact O-N 3.11Å; T187-R219 PolarHBondContact O-NH1 2.75Å
188	N	89.5	Confident	89.3	Confident	126 Å²	126	50.2 Å²	50.2	67%	0.674	27%	0.265	S	S	*	.			trans	-82.5	110.1	176.7	-168.9	14	0	0	0	110.7	P145 N186	P145-N188 WeakPolarHBondContact CD-O 3.36Å; N186-N188 PolarHBondContact O-N 3.32Å
189	F	92.6	Very high	88.4	Confident	20 Å²	20	56.9 Å²	56.9	9%	0.088	30%	0.295	C	S	.	.			trans	-91.5	136.3	174.4	-82.8	-121.7	0	0	0	109.1	A142 C143 Y144 I178 V182 T187 I191 Y192 R219	A142-F189 HydrophobicContact CB-CD1 4.47Å; A142-F189 HydrophobicContact CB-CE1 4.36Å; C143-F189 CarbonylContact O-C 3.42Å; C143-F189 WeakPolarHBondContact O-CA 3.32Å; Y144-F189 HydrophobicContact CD1-CD1 4.04Å; Y144-F189 AromaticContact CD1-CE1 3.4Å; Y144-F189 HydrophobicContact CD1-CE1 3.4Å; Y144-F189 VanDerWaalsContact CD1-CE1 3.4Å; Y144-F189 AromaticContact CD1-CZ 3.86Å; Y144-F189 HydrophobicContact CD1-CZ 3.86Å; Y144-F189 HydrophobicContact CE1-CE1 4.31Å; Y144-F189 HydrophobicContact CG-CD1 4.45Å; Y144-F189 AromaticContact CG-CE1 3.95Å; Y144-F189 HydrophobicContact CG-CE1 3.95Å; Y144-F189 HydrophobicContact CG-CZ 4.06Å; I178-F189 HydrophobicContact CD1-CE1 4.13Å; I178-F189 HydrophobicContact CG2-CE1 4.4Å; I178-F189 HydrophobicContact CG2-CZ 3.77Å; V182-F189 WeakPolarHBondContact O-CE2 3.28Å; T187-F189 HydrophobicContact CG2-CD2 4.02Å; T187-F189 HydrophobicContact CG2-CE2 3.78Å; T187-F189 PolarHBondContact O-N 3.11Å; F189-I191 VanDerWaalsContact C-N 3.34Å; F189-I191 WeakPolarHBondContact CD1-O 3.28Å; F189-Y192 AromaticContact CD1-CD2 3.65Å; F189-Y192 HydrophobicContact CD1-CD2 3.65Å; F189-Y192 HydrophobicContact CD1-CG 4.21Å; F189-Y192 AromaticContact CE1-CD2 3.77Å; F189-Y192 HydrophobicContact CE1-CD2 3.77Å; F189-Y192 HydrophobicContact CE1-CE2 4.3Å; F189-Y192 HydrophobicContact CG-CD2 4.4Å; F189-R219 VanDerWaalsContact CD2-NH1 3.27Å
190	L	91.9	Very high	87.7	Confident	50 Å²	50	62.8 Å²	62.8	26%	0.262	32%	0.319	S	S	.	.	S	Bend	trans	-71	-36.7	170.4	-61	-178.9	0	0	0	110.9	L70 Y74 V122 C143	L70-L190 HydrophobicContact CD2-CB 4.23Å; Y74-L190 HydrophobicContact CD1-CD1 4.43Å; Y74-L190 HydrophobicContact CD2-CD1 4.45Å; Y74-L190 HydrophobicContact CE1-CD1 3.88Å; Y74-L190 HydrophobicContact CE2-CD1 3.91Å; Y74-L190 HydrophobicContact CE2-CD2 4.4Å; V122-L190 HydrophobicContact CG1-CD1 3.7Å; V122-L190 HydrophobicContact CG2-CD1 4.07Å; C143-L190 HydrophobicContact CB-CB 4.03Å; C143-L190 PolarHBondContact O-N 3.25Å
191	I	94	Very high	87	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	130.9	173.9	-51.7	-179.2	0	0	0	107.1	L64 F68 L70 A141 A142 C143 F189	L64-I191 HydrophobicContact CB-CD1 4.07Å; L64-I191 HydrophobicContact CD1-CD1 4.47Å; L64-I191 HydrophobicContact CD2-CD1 4.33Å; F68-I191 HydrophobicContact CB-CD1 3.96Å; F68-I191 HydrophobicContact CB-CG1 3.95Å; F68-I191 HydrophobicContact CD1-CG1 4.21Å; F68-I191 HydrophobicContact CD1-CG2 3.97Å; F68-I191 HydrophobicContact CD2-CD1 3.66Å; F68-I191 HydrophobicContact CD2-CG1 4.2Å; F68-I191 HydrophobicContact CD2-CG2 4.2Å; F68-I191 HydrophobicContact CE1-CG2 3.76Å; F68-I191 HydrophobicContact CE2-CD1 4.28Å; F68-I191 HydrophobicContact CE2-CG2 4Å; F68-I191 HydrophobicContact CG-CD1 3.81Å; F68-I191 HydrophobicContact CG-CG1 3.87Å; F68-I191 HydrophobicContact CG-CG2 4.19Å; F68-I191 HydrophobicContact CZ-CG2 3.77Å; L70-I191 HydrophobicContact CD1-CD1 3.78Å; L70-I191 HydrophobicContact CD1-CG1 4.07Å; A141-I191 HydrophobicContact CB-CG2 4Å; A142-I191 CarbonylContact C-O 3.54Å; A142-I191 VanDerWaalsContact CA-O 3.24Å; A142-I191 WeakPolarHBondContact CA-O 3.43Å; C143-I191 HydrophobicContact CB-CB 3.95Å; C143-I191 HydrophobicContact CB-CD1 4.32Å; C143-I191 HydrophobicContact CB-CG1 3.99Å; C143-I191 PolarHBondContact N-O 3.43Å; C143-I191 PolarHBondContact O-N 3.28Å; F189-I191 VanDerWaalsContact C-N 3.34Å; F189-I191 WeakPolarHBondContact CD1-O 3.28Å
192	Y	93.5	Very high	86.1	Confident	55 Å²	55	54.7 Å²	54.7	22%	0.216	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	93.8	165.5	-169.7	-108.7	0	0	0	109.4	A142 I178 W185 F189 P194 R219 G221 D340	A142-Y192 HydrophobicContact CB-CD2 4.2Å; I178-Y192 HydrophobicContact CD1-CE2 4.31Å; I178-Y192 HydrophobicContact CG1-CE2 4.32Å; W185-Y192 HydrophobicContact CH2-CE1 4.41Å; F189-Y192 AromaticContact CD1-CD2 3.65Å; F189-Y192 HydrophobicContact CD1-CD2 3.65Å; F189-Y192 HydrophobicContact CD1-CG 4.21Å; F189-Y192 AromaticContact CE1-CD2 3.77Å; F189-Y192 HydrophobicContact CE1-CD2 3.77Å; F189-Y192 HydrophobicContact CE1-CE2 4.3Å; F189-Y192 HydrophobicContact CG-CD2 4.4Å; Y192-P194 HydrophobicContact CD1-CG 4.38Å; Y192-P194 HydrophobicContact CE1-CG 3.8Å; Y192-R219 HydrophobicContact CE1-CB 4.42Å; Y192-R219 HydrophobicContact CE1-CG 4Å; Y192-R219 HydrophobicContact CE2-CB 4.09Å; Y192-R219 HydrophobicContact CE2-CG 4.32Å; Y192-R219 WeakPolarHBondContact OH-CB 3.44Å; Y192-G221 VanDerWaalsContact OH-CA 3.3Å; Y192-G221 WeakPolarHBondContact OH-CA 3.14Å; Y192-G221 PolarHBondContact OH-N 3.27Å; Y192-D340 WeakPolarHBondContact CE1-OD2 3.49Å; Y192-D340 VanDerWaalsContact CZ-OD2 3.28Å; Y192-D340 PolarHBondContact OH-OD1 3.33Å; Y192-D340 VanDerWaalsContact OH-OD1 3.08Å; Y192-D340 PolarHBondContact OH-OD2 3Å
193	Y	92.4	Very high	85	Confident	64 Å²	64	59.8 Å²	59.8	25%	0.251	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	77.2	179.8	-177.5	-97.5	0	0	0	107.6	I138 G140 A141 M202 F206	I138-Y193 HydrophobicContact CG2-CD1 4.14Å; I138-Y193 HydrophobicContact CG2-CE1 4.08Å; G140-Y193 CarbonylContact C-O 3.58Å; G140-Y193 WeakPolarHBondContact CA-O 3.27Å; A141-Y193 PolarHBondContact N-O 3.23Å; A141-Y193 CarbonylContact O-C 3.55Å; A141-Y193 WeakPolarHBondContact O-CA 3.41Å; A141-Y193 PolarHBondContact O-N 2.59Å; Y193-M202 HydrophobicContact CE1-CE 4.06Å; Y193-M202 HydrophobicContact CE2-CE 3.97Å; Y193-M202 VanDerWaalsContact CZ-CE 3.45Å; Y193-M202 WeakPolarHBondContact OH-CE 3.21Å; Y193-F206 HydrophobicContact CD2-CE1 4.46Å; Y193-F206 AromaticContact CD2-CZ 3.75Å; Y193-F206 HydrophobicContact CD2-CZ 3.75Å; Y193-F206 HydrophobicContact CE2-CE1 4.3Å; Y193-F206 AromaticContact CE2-CE2 3.91Å; Y193-F206 HydrophobicContact CE2-CE2 3.91Å; Y193-F206 AromaticContact CE2-CZ 3.33Å; Y193-F206 HydrophobicContact CE2-CZ 3.33Å
194	P	93.2	Very high	83.6	Confident	11 Å²	11	60.9 Å²	60.9	7%	0.071	31%	0.308	C	S	.	.			trans	-70.9	152.8	-177.8	29.6	-35.8	0	0	0	112	Y192 G221 V223	Y192-P194 HydrophobicContact CD1-CG 4.38Å; Y192-P194 HydrophobicContact CE1-CG 3.8Å; P194-G221 VanDerWaalsContact CB-C 3.48Å; P194-V223 HydrophobicContact CB-CG1 4.41Å; P194-V223 HydrophobicContact CG-CB 4.35Å; P194-V223 HydrophobicContact CG-CG1 3.45Å; P194-V223 VanDerWaalsContact CG-CG1 3.45Å; P194-V223 HydrophobicContact CG-CG2 4.18Å
195	P	92.2	Very high	82	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	30%	0.298	C	S	.	.			trans	-58.6	158.6	165.7	-21.6	34.3	0	0	0	111.4	I127 I139 H174 L176 G221 L222 V223	I127-P195 HydrophobicContact CD1-CG 4.08Å; I139-P195 HydrophobicContact CG2-CB 3.96Å; I139-P195 HydrophobicContact CG2-CG 4.19Å; H174-P195 WeakPolarHBondContact O-CG 3.42Å; L176-P195 HydrophobicContact CG-CG 4.32Å; P195-G221 WeakPolarHBondContact CD-O 2.98Å; P195-L222 HydrophobicContact CB-CD1 3.98Å; P195-L222 WeakPolarHBondContact O-CA 3.22Å; P195-L222 WeakPolarHBondContact O-CD1 3.43Å; P195-V223 VanDerWaalsContact O-CG2 3.29Å; P195-V223 WeakPolarHBondContact O-CG2 3.28Å; P195-V223 PolarHBondContact O-N 3.47Å
196	A	90.2	Very high	80.3	Confident	14 Å²	14	61.6 Å²	61.6	12%	0.116	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-105.2	153.7	169.4	0	0	0	0	0	112.8	D198 M202 V223	A196-D198 VanDerWaalsContact CB-O 3.25Å; A196-D198 WeakPolarHBondContact CB-O 3.05Å; A196-D198 PolarHBondContact O-N 3.13Å; A196-M202 HydrophobicContact CB-CB 4.44Å; A196-M202 HydrophobicContact CB-CG 3.43Å; A196-M202 VanDerWaalsContact CB-CG 3.43Å; A196-M202 HydrophobicContact CB-SD 3.48Å; A196-M202 WeakPolarHBondContact CB-SD 3.32Å; A196-V223 CarbonylContact C-O 3.4Å; A196-V223 VanDerWaalsContact CA-O 3.26Å; A196-V223 WeakPolarHBondContact CA-O 3.34Å; A196-V223 HydrophobicContact CB-CG2 3.84Å
197	T	87.4	Confident	78.5	Confident	27 Å²	27	63.5 Å²	63.5	17%	0.166	31%	0.306	C	S	.	.	S	Bend	trans	-64	-28.6	171.6	55.5	0	0	0	0	112.9	F168 L222 V223 G224 Q225 G226 T339	F168-T197 HydrophobicContact CE1-CG2 4.06Å; T197-L222 HydrophobicContact CG2-CD1 4.47Å; T197-L222 HydrophobicContact CG2-CD2 3.66Å; T197-L222 HydrophobicContact CG2-CG 3.93Å; T197-V223 PolarHBondContact N-O 3.14Å; T197-G224 WeakPolarHBondContact OG1-CA 3.31Å; T197-Q225 PolarHBondContact OG1-N 3.12Å; T197-G226 VanDerWaalsContact CG2-CA 3.47Å; T197-G226 PolarHBondContact OG1-N 3.24Å; T197-T339 HydrophobicContact CG2-CG2 3.99Å
198	D	81.1	Confident	76.9	Confident	66 Å²	66	69.6 Å²	69.6	35%	0.353	33%	0.332	S	S	.	.	S	Bend	trans	-147	153.5	176.6	67.2	81.4	0	0	0	110.9	A196 H200 F201 M202	A196-D198 VanDerWaalsContact CB-O 3.25Å; A196-D198 WeakPolarHBondContact CB-O 3.05Å; A196-D198 PolarHBondContact O-N 3.13Å; D198-H200 VanDerWaalsContact C-N 3.31Å; D198-H200 PolarHBondContact O-N 3.39Å; D198-H200 WeakPolarHBondContact OD1-CB 3.36Å; D198-H200 PolarHBondContact OD1-N 2.88Å; D198-H200 VanDerWaalsContact OD1-N 3.16Å; D198-F201 PolarHBondContact O-N 2.79Å; D198-F201 WeakPolarHBondContact OD1-CB 3.05Å; D198-F201 PolarHBondContact OD1-N 2.04Å; D198-M202 PolarHBondContact O-N 2.96Å
199	Q	70.1	Confident	75.1	Confident	154 Å²	154	65.2 Å²	65.2	72%	0.72	31%	0.314	S	S	*	.	H	α-helix	trans	-67.7	-30.5	-176.4	-73.6	-175	-0.4	0	0	113	F201 M202	Q199-F201 VanDerWaalsContact C-N 3.28Å; Q199-F201 PolarHBondContact O-N 3.07Å; Q199-M202 PolarHBondContact O-N 3.32Å
200	H	69.6	Low	73.4	Confident	161 Å²	161	64.8 Å²	64.8	75%	0.745	32%	0.315	S	S	*	.	H	α-helix	trans	-66.2	-35.8	178.8	-78.1	-72.4	0	0	0	111.3	D198 N203 S204	D198-H200 VanDerWaalsContact C-N 3.31Å; D198-H200 PolarHBondContact O-N 3.39Å; D198-H200 WeakPolarHBondContact OD1-CB 3.36Å; D198-H200 PolarHBondContact OD1-N 2.88Å; D198-H200 VanDerWaalsContact OD1-N 3.16Å; H200-N203 PolarHBondContact O-N 2.96Å; H200-S204 PolarHBondContact O-N 3.41Å
201	F	68.2	Low	72.3	Confident	15 Å²	15	70.3 Å²	70.3	7%	0.066	34%	0.337	C	S	.	.	H	α-helix	trans	-69.6	-35.2	178.8	-157.8	-94.4	0	0	0	112.2	D198 Q199 N203 S204 V205 A209 V223 L231 N341	D198-F201 PolarHBondContact O-N 2.79Å; D198-F201 WeakPolarHBondContact OD1-CB 3.05Å; D198-F201 PolarHBondContact OD1-N 2.04Å; Q199-F201 VanDerWaalsContact C-N 3.28Å; Q199-F201 PolarHBondContact O-N 3.07Å; F201-N203 PolarHBondContact O-N 2.88Å; F201-S204 WeakPolarHBondContact CA-OG 3.32Å; F201-S204 CarbonylContact O-C 3.57Å; F201-S204 PolarHBondContact O-N 3.2Å; F201-S204 PolarHBondContact O-OG 2.82Å; F201-V205 HydrophobicContact CD1-CG2 3.16Å; F201-V205 HydrophobicContact CE1-CG2 3.11Å; F201-V205 HydrophobicContact CG-CG2 4.24Å; F201-V205 HydrophobicContact CZ-CG2 4.16Å; F201-V205 WeakPolarHBondContact O-CG2 3.42Å; F201-V205 PolarHBondContact O-N 2.71Å; F201-A209 HydrophobicContact CE2-CB 4.49Å; F201-V223 HydrophobicContact CD1-CB 4.33Å; F201-V223 HydrophobicContact CD1-CG2 4.49Å; F201-V223 HydrophobicContact CE1-CB 4.18Å; F201-L231 HydrophobicContact CE2-CD1 3.8Å; F201-L231 HydrophobicContact CE2-CD2 3.6Å; F201-L231 HydrophobicContact CE2-CG 4.35Å; F201-L231 HydrophobicContact CZ-CD1 4.48Å; F201-L231 HydrophobicContact CZ-CD2 3.84Å; F201-N341 HydrophobicContact CE1-CB 4.4Å; F201-N341 VanDerWaalsContact CE1-OD1 3.32Å; F201-N341 WeakPolarHBondContact CE1-OD1 3.44Å; F201-N341 HydrophobicContact CZ-CB 4.08Å
202	M	64.7	Low	71.7	Confident	32 Å²	32	78 Å²	78	16%	0.158	37%	0.37	C	S	.	.	H	α-helix	trans	-52.7	-45	171.9	-78.5	-57.9	-77.8	0	0	111.5	Y193 A196 D198 Q199 S204 F206 V223	Y193-M202 HydrophobicContact CE1-CE 4.06Å; Y193-M202 HydrophobicContact CE2-CE 3.97Å; Y193-M202 VanDerWaalsContact CZ-CE 3.45Å; Y193-M202 WeakPolarHBondContact OH-CE 3.21Å; A196-M202 HydrophobicContact CB-CB 4.44Å; A196-M202 HydrophobicContact CB-CG 3.43Å; A196-M202 VanDerWaalsContact CB-CG 3.43Å; A196-M202 HydrophobicContact CB-SD 3.48Å; A196-M202 WeakPolarHBondContact CB-SD 3.32Å; D198-M202 PolarHBondContact O-N 2.96Å; Q199-M202 PolarHBondContact O-N 3.32Å; M202-S204 VanDerWaalsContact C-N 3.25Å; M202-S204 PolarHBondContact O-N 2.79Å; M202-F206 HydrophobicContact CE-CE2 4.04Å; M202-F206 WeakPolarHBondContact O-CD2 3.5Å; M202-V223 HydrophobicContact SD-CG2 4.29Å
203	N	64.5	Low	71.5	Confident	118 Å²	118	77.9 Å²	77.9	63%	0.631	37%	0.371	S	S	*	.	H	α-helix	trans	-68.2	-24.7	179.8	-65.6	-20.8	0	0	0	112.7	H200 F201 R207	H200-N203 PolarHBondContact O-N 2.96Å; F201-N203 PolarHBondContact O-N 2.88Å; N203-R207 VanDerWaalsContact O-CD 3.26Å; N203-R207 WeakPolarHBondContact O-CD 3.23Å; N203-R207 VanDerWaalsContact O-CG 3.29Å; N203-R207 WeakPolarHBondContact O-CG 3.24Å
204	S	60.5	Low	71.4	Confident	33 Å²	33	77.5 Å²	77.5	23%	0.231	38%	0.375	C	S	.	.	H	α-helix	trans	-92.2	-28.1	-179.7	79.2	0	0	0	0	113.9	H200 F201 M202 F206 R207 E208 A209	H200-S204 PolarHBondContact O-N 3.41Å; F201-S204 WeakPolarHBondContact CA-OG 3.32Å; F201-S204 CarbonylContact O-C 3.57Å; F201-S204 PolarHBondContact O-N 3.2Å; F201-S204 PolarHBondContact O-OG 2.82Å; M202-S204 VanDerWaalsContact C-N 3.25Å; M202-S204 PolarHBondContact O-N 2.79Å; S204-F206 VanDerWaalsContact C-N 3.32Å; S204-F206 PolarHBondContact O-N 3.49Å; S204-R207 PolarHBondContact O-N 2.84Å; S204-E208 PolarHBondContact O-N 3.02Å; S204-A209 PolarHBondContact O-N 3.47Å
205	V	57.9	Low	71.4	Confident	28 Å²	28	77 Å²	77	17%	0.17	37%	0.372	C	S	.	.	H	α-helix	trans	-56.5	-46.8	176.1	168.2	0	0	0	0	110.7	F201 R207 V223	F201-V205 HydrophobicContact CD1-CG2 3.16Å; F201-V205 HydrophobicContact CE1-CG2 3.11Å; F201-V205 HydrophobicContact CG-CG2 4.24Å; F201-V205 HydrophobicContact CZ-CG2 4.16Å; F201-V205 WeakPolarHBondContact O-CG2 3.42Å; F201-V205 PolarHBondContact O-N 2.71Å; V205-R207 PolarHBondContact O-N 3.22Å; V205-V223 HydrophobicContact CG2-CB 4.03Å; V205-V223 HydrophobicContact CG2-CG2 3.91Å
206	F	54.8	Low	71.2	Confident	127 Å²	127	80.4 Å²	80.4	56%	0.557	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.9	177.9	-67.7	-68.4	0	0	0	112.9	Y193 M202 S204	Y193-F206 HydrophobicContact CD2-CE1 4.46Å; Y193-F206 AromaticContact CD2-CZ 3.75Å; Y193-F206 HydrophobicContact CD2-CZ 3.75Å; Y193-F206 HydrophobicContact CE2-CE1 4.3Å; Y193-F206 AromaticContact CE2-CE2 3.91Å; Y193-F206 HydrophobicContact CE2-CE2 3.91Å; Y193-F206 AromaticContact CE2-CZ 3.33Å; Y193-F206 HydrophobicContact CE2-CZ 3.33Å; M202-F206 HydrophobicContact CE-CE2 4.04Å; M202-F206 WeakPolarHBondContact O-CD2 3.5Å; S204-F206 VanDerWaalsContact C-N 3.32Å; S204-F206 PolarHBondContact O-N 3.49Å
207	R	51.1	Low	71.1	Confident	201 Å²	201	84.8 Å²	84.8	76%	0.758	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-52.5	-174.3	-67.7	-179.6	74.8	-179.5	2.2	112.4	N203 S204 V205	N203-R207 VanDerWaalsContact O-CD 3.26Å; N203-R207 WeakPolarHBondContact O-CD 3.23Å; N203-R207 VanDerWaalsContact O-CG 3.29Å; N203-R207 WeakPolarHBondContact O-CG 3.24Å; S204-R207 PolarHBondContact O-N 2.84Å; V205-R207 PolarHBondContact O-N 3.22Å
208	E	55.2	Low	71.2	Confident	155 Å²	155	86.2 Å²	86.2	72%	0.724	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-176.3	-38.3	-177.2	-106.1	149.6	-143.7	0	0	114.4	S204 G210 K211 K212	S204-E208 PolarHBondContact O-N 3.02Å; E208-G210 VanDerWaalsContact C-N 3.28Å; E208-G210 PolarHBondContact O-N 3.29Å; E208-K211 WeakPolarHBondContact O-CB 3.23Å; E208-K211 PolarHBondContact O-N 2.86Å; E208-K212 PolarHBondContact O-N 3.43Å
209	A	51.2	Low	71.7	Confident	34 Å²	34	84.4 Å²	84.4	28%	0.281	40%	0.403	S	S	.	.	H	α-helix	trans	-60.2	-37.9	-170.5	0	0	0	0	0	112.7	F201 S204 K211 K212	F201-A209 HydrophobicContact CE2-CB 4.49Å; S204-A209 PolarHBondContact O-N 3.47Å; A209-K211 PolarHBondContact O-N 2.85Å; A209-K212 PolarHBondContact O-N 3.27Å
210	G	57.8	Low	72.7	Confident	11 Å²	11	77.4 Å²	77.4	11%	0.113	37%	0.371	C	S	.	.	H	α-helix	trans	-66.3	-20.7	176.6	0	0	0	0	0	114.2	E208 N341	E208-G210 VanDerWaalsContact C-N 3.28Å; E208-G210 PolarHBondContact O-N 3.29Å; G210-N341 WeakPolarHBondContact CA-ND2 3.38Å; G210-N341 PolarHBondContact O-ND2 3.23Å; G210-N341 VanDerWaalsContact O-ND2 3.13Å
211	K	69.1	Low	73.8	Confident	166 Å²	166	69.8 Å²	69.8	72%	0.722	34%	0.336	S	S	*	.	H	α-helix	trans	-88.4	-24.7	177.5	-64.2	-177.9	-179.8	174.4	0	112.8	E208 A209	E208-K211 WeakPolarHBondContact O-CB 3.23Å; E208-K211 PolarHBondContact O-N 2.86Å; A209-K211 PolarHBondContact O-N 2.85Å
212	K	81.7	Confident	74.9	Confident	166 Å²	166	69 Å²	69	72%	0.722	33%	0.332	S	S	*	.	H	α-helix	trans	-74.1	-41.4	-179	-174.4	177.2	178.2	179.5	0	112.3	E208 A209	E208-K212 PolarHBondContact O-N 3.43Å; A209-K212 PolarHBondContact O-N 3.27Å
213	H	88.2	Confident	76.2	Confident	51 Å²	51	67.9 Å²	67.9	24%	0.236	33%	0.327	C	S	.	.	S	Bend	trans	-114.1	100.8	179.9	-53.9	114.7	0	0	0	108.6	L231 N341 W343	H213-L231 HydrophobicContact CB-CB 4.28Å; H213-L231 WeakPolarHBondContact ND1-CB 3.3Å; H213-N341 WeakPolarHBondContact O-CA 3.2Å; H213-N341 PolarHBondContact O-ND2 3.28Å; H213-W343 HydrophobicContact CB-CZ3 4.43Å
214	V	90.5	Very high	77.4	Confident	56 Å²	56	62.3 Å²	62.3	34%	0.339	30%	0.297	S	S	.	.			trans	-117.6	124	178.4	-178.7	0	0	0	0	107.7	W185 D340 W343	W185-V214 HydrophobicContact CD2-CG1 3.97Å; W185-V214 VanDerWaalsContact CE2-CG1 3.42Å; W185-V214 HydrophobicContact CE3-CG1 4.4Å; W185-V214 HydrophobicContact CH2-CG1 3.95Å; W185-V214 HydrophobicContact CZ2-CG1 3.43Å; W185-V214 VanDerWaalsContact CZ2-CG1 3.43Å; W185-V214 HydrophobicContact CZ3-CG1 4.4Å; V214-D340 CarbonylContact C-O 3.45Å; V214-D340 WeakPolarHBondContact CA-O 3.25Å; V214-W343 VanDerWaalsContact O-CH2 3.23Å; V214-W343 WeakPolarHBondContact O-CH2 3.36Å; V214-W343 WeakPolarHBondContact O-CZ3 3.11Å
215	N	92.6	Very high	78.6	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.301	C	S	.	.			trans	-54.5	119	177.4	-177.5	-31.8	0	0	0	109.2	W185 E217 R218 Y332 T339 D340 W343	W185-N215 PolarHBondContact NE1-O 2.97Å; N215-E217 PolarHBondContact O-N 2.87Å; N215-E217 PolarHBondContact OD1-N 3.06Å; N215-R218 WeakPolarHBondContact CB-O 3.18Å; N215-Y332 WeakPolarHBondContact OD1-CE2 3.14Å; N215-T339 PolarHBondContact ND2-O 3.17Å; N215-D340 WeakPolarHBondContact CB-O 3.38Å; N215-D340 PolarHBondContact N-O 3.27Å; N215-W343 VanDerWaalsContact CA-CE3 3.41Å; N215-W343 HydrophobicContact CB-CD2 4.46Å; N215-W343 HydrophobicContact CB-CE3 3.89Å; N215-W343 HydrophobicContact CB-CZ3 4.38Å
216	P	89.8	Confident	79.9	Confident	74 Å²	74	63.8 Å²	63.8	48%	0.481	31%	0.306	S	S	.	.	S	Bend	trans	-69.1	-24.6	-167.8	26	-34.5	0	0	0	113.1	Y332 W343	P216-Y332 HydrophobicContact CG-CD2 4.43Å; P216-W343 HydrophobicContact CG-CZ2 4.32Å
217	E	86.9	Confident	81.1	Confident	105 Å²	105	60.9 Å²	60.9	49%	0.491	30%	0.3	S	S	.	.	S	Bend	trans	-94.8	-40.3	-171.6	-63.6	-60.7	144.8	0	0	112.6	N215 Y332	N215-E217 PolarHBondContact O-N 2.87Å; N215-E217 PolarHBondContact OD1-N 3.06Å; E217-Y332 HydrophobicContact CB-CD1 4.31Å; E217-Y332 HydrophobicContact CB-CD2 4.37Å; E217-Y332 HydrophobicContact CB-CE1 3.94Å; E217-Y332 HydrophobicContact CB-CE2 4.04Å; E217-Y332 HydrophobicContact CB-CG 4.49Å; E217-Y332 HydrophobicContact CG-CD1 3.45Å; E217-Y332 VanDerWaalsContact CG-CD1 3.45Å; E217-Y332 HydrophobicContact CG-CD2 3.62Å; E217-Y332 HydrophobicContact CG-CE1 3.59Å; E217-Y332 HydrophobicContact CG-CE2 3.79Å; E217-Y332 HydrophobicContact CG-CG 3.43Å; E217-Y332 VanDerWaalsContact CG-CG 3.43Å
218	R	89.5	Confident	82.6	Confident	57 Å²	57	52 Å²	52	22%	0.215	27%	0.266	C	S	.	.			trans	-160.6	154.7	-168.6	61	-176.1	-178.4	135.1	5.1	114.5	S183 N215 T220 Y332 S334 E338	S183-R218 CarbonylContact O-C 3.57Å; S183-R218 WeakPolarHBondContact O-CA 3.34Å; N215-R218 WeakPolarHBondContact CB-O 3.18Å; R218-T220 HydrophobicContact CG-CG2 4.38Å; R218-Y332 PolarHBondContact NE-OH 3.46Å; R218-Y332 VanDerWaalsContact NE-OH 3.13Å; R218-S334 PolarHBondContact NH2-OG 3.02Å; R218-S334 VanDerWaalsContact NH2-OG 3.11Å; R218-E338 IonicContact CZ-OE2 2.69Å; R218-E338 IonicContact NE-OE2 2.65Å; R218-E338 IonicContact NH2-OE2 2.83Å; R218-E338 PolarHBondContact NH2-OE2 3.08Å
219	R	91.9	Very high	83.8	Confident	29 Å²	29	47 Å²	47	11%	0.109	24%	0.242	C	C	.	.			trans	-71.8	126.8	155.9	-67.9	178.5	-175	120.8	-3	109.1	S183 T184 W185 T187 F189 Y192 D340	S183-R219 WeakPolarHBondContact O-CB 3.3Å; S183-R219 PolarHBondContact O-N 3.26Å; T184-R219 PolarHBondContact O-NH1 3.43Å; W185-R219 HydrophobicContact CD2-CG 3.86Å; W185-R219 HydrophobicContact CE3-CG 3.84Å; W185-R219 VanDerWaalsContact CE3-NE 3.28Å; W185-R219 HydrophobicContact CH2-CG 3.74Å; W185-R219 HydrophobicContact CZ2-CG 3.75Å; W185-R219 HydrophobicContact CZ3-CG 3.78Å; W185-R219 PolarHBondContact O-NH1 2.91Å; W185-R219 PolarHBondContact O-NH2 3.25Å; T187-R219 PolarHBondContact O-NH1 2.75Å; F189-R219 VanDerWaalsContact CD2-NH1 3.27Å; Y192-R219 HydrophobicContact CE1-CB 4.42Å; Y192-R219 HydrophobicContact CE1-CG 4Å; Y192-R219 HydrophobicContact CE2-CB 4.09Å; Y192-R219 HydrophobicContact CE2-CG 4.32Å; Y192-R219 WeakPolarHBondContact OH-CB 3.44Å; R219-D340 VanDerWaalsContact CA-OD1 3.3Å; R219-D340 WeakPolarHBondContact CA-OD1 3.39Å
220	T	90.6	Very high	85.4	Confident	7 Å²	7	49.3 Å²	49.3	4%	0.043	25%	0.25	C	C	.	.			trans	-99.8	-10.4	177.6	75	0	0	0	0	112.4	R218 L222 E338 T339 D340	R218-T220 HydrophobicContact CG-CG2 4.38Å; T220-L222 VanDerWaalsContact C-N 3.34Å; T220-L222 PolarHBondContact OG1-N 3.47Å; T220-L222 PolarHBondContact OG1-O 3.39Å; T220-E338 HydrophobicContact CG2-CB 4.1Å; T220-E338 PolarHBondContact OG1-O 3.24Å; T220-T339 VanDerWaalsContact OG1-C 3.26Å; T220-T339 VanDerWaalsContact OG1-CA 3.23Å; T220-T339 WeakPolarHBondContact OG1-CA 3.47Å; T220-D340 PolarHBondContact N-OD1 2.88Å; T220-D340 PolarHBondContact OG1-N 2.98Å; T220-D340 PolarHBondContact OG1-OD1 2.83Å
221	G	93	Very high	86.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	77.2	21.1	-176.6	0	0	0	0	0	113.9	L176 Y192 P194 P195	L176-G221 PolarHBondContact N-O 3.15Å; L176-G221 VanDerWaalsContact O-CA 3.31Å; L176-G221 WeakPolarHBondContact O-CA 3.34Å; Y192-G221 VanDerWaalsContact OH-CA 3.3Å; Y192-G221 WeakPolarHBondContact OH-CA 3.14Å; Y192-G221 PolarHBondContact OH-N 3.27Å; P194-G221 VanDerWaalsContact CB-C 3.48Å; P195-G221 WeakPolarHBondContact CD-O 2.98Å
222	L	91.9	Very high	87.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.			trans	-150.1	128.6	176.7	-171.1	71.7	0	0	0	109.5	F168 V173 R175 P195 T197 T220 T339 D340	F168-L222 HydrophobicContact CB-CD2 4.09Å; F168-L222 HydrophobicContact CD1-CD2 3.6Å; F168-L222 HydrophobicContact CD2-CD2 3.49Å; F168-L222 VanDerWaalsContact CD2-CD2 3.49Å; F168-L222 HydrophobicContact CE1-CD2 3.74Å; F168-L222 HydrophobicContact CE2-CD2 3.62Å; F168-L222 HydrophobicContact CG-CD2 3.46Å; F168-L222 VanDerWaalsContact CG-CD2 3.46Å; F168-L222 HydrophobicContact CZ-CD2 3.75Å; V173-L222 HydrophobicContact CG1-CD1 3.67Å; R175-L222 HydrophobicContact CB-CB 3.82Å; R175-L222 HydrophobicContact CB-CD1 4.32Å; R175-L222 HydrophobicContact CB-CD2 4.37Å; R175-L222 HydrophobicContact CB-CG 4.42Å; P195-L222 HydrophobicContact CB-CD1 3.98Å; P195-L222 WeakPolarHBondContact O-CA 3.22Å; P195-L222 WeakPolarHBondContact O-CD1 3.43Å; T197-L222 HydrophobicContact CG2-CD1 4.47Å; T197-L222 HydrophobicContact CG2-CD2 3.66Å; T197-L222 HydrophobicContact CG2-CG 3.93Å; T220-L222 VanDerWaalsContact C-N 3.34Å; T220-L222 PolarHBondContact OG1-N 3.47Å; T220-L222 PolarHBondContact OG1-O 3.39Å; L222-T339 HydrophobicContact CD2-CG2 4.23Å; L222-T339 CarbonylContact O-C 3.54Å; L222-T339 WeakPolarHBondContact O-CA 3.49Å; L222-T339 WeakPolarHBondContact O-CB 3.33Å; L222-D340 PolarHBondContact O-N 2.9Å
223	V	91.6	Very high	88.3	Confident	8 Å²	8	38.2 Å²	38.2	5%	0.048	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-101.3	157.3	176.1	-72.2	0	0	0	0	111.6	P194 P195 A196 T197 F201 M202 V205 D340 N341	P194-V223 HydrophobicContact CB-CG1 4.41Å; P194-V223 HydrophobicContact CG-CB 4.35Å; P194-V223 HydrophobicContact CG-CG1 3.45Å; P194-V223 VanDerWaalsContact CG-CG1 3.45Å; P194-V223 HydrophobicContact CG-CG2 4.18Å; P195-V223 VanDerWaalsContact O-CG2 3.29Å; P195-V223 WeakPolarHBondContact O-CG2 3.28Å; P195-V223 PolarHBondContact O-N 3.47Å; A196-V223 CarbonylContact C-O 3.4Å; A196-V223 VanDerWaalsContact CA-O 3.26Å; A196-V223 WeakPolarHBondContact CA-O 3.34Å; A196-V223 HydrophobicContact CB-CG2 3.84Å; T197-V223 PolarHBondContact N-O 3.14Å; F201-V223 HydrophobicContact CD1-CB 4.33Å; F201-V223 HydrophobicContact CD1-CG2 4.49Å; F201-V223 HydrophobicContact CE1-CB 4.18Å; M202-V223 HydrophobicContact SD-CG2 4.29Å; V205-V223 HydrophobicContact CG2-CB 4.03Å; V205-V223 HydrophobicContact CG2-CG2 3.91Å; V223-D340 HydrophobicContact CG1-CB 3.87Å; V223-N341 WeakPolarHBondContact CA-OD1 3.45Å; V223-N341 VanDerWaalsContact CB-OD1 3.3Å; V223-N341 WeakPolarHBondContact CB-OD1 3.49Å
224	G	88.7	Confident	88.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	109.9	-178.1	177.6	0	0	0	0	0	114.4	T197 T339 N341	T197-G224 WeakPolarHBondContact OG1-CA 3.31Å; G224-T339 VanDerWaalsContact O-CB 3.23Å; G224-T339 WeakPolarHBondContact O-CB 3.34Å; G224-T339 WeakPolarHBondContact O-CG2 3.38Å; G224-T339 PolarHBondContact O-OG1 3.5Å; G224-N341 PolarHBondContact N-OD1 3.44Å
225	Q	86	Confident	88.4	Confident	65 Å²	65	39.8 Å²	39.8	30%	0.304	20%	0.2	S	C	.	.			trans	-81.7	-31.7	-175.5	-176.5	170.5	-42.2	0	0	112	T197 W228 K229 L231	T197-Q225 PolarHBondContact OG1-N 3.12Å; Q225-W228 HydrophobicContact CG-CB 4.39Å; Q225-W228 VanDerWaalsContact CG-O 3.22Å; Q225-W228 WeakPolarHBondContact CG-O 3.29Å; Q225-W228 PolarHBondContact NE2-O 2.94Å; Q225-W228 WeakPolarHBondContact O-CB 3.47Å; Q225-W228 PolarHBondContact O-N 2.95Å; Q225-K229 VanDerWaalsContact NE2-C 3.3Å; Q225-K229 PolarHBondContact NE2-O 3.41Å; Q225-L231 HydrophobicContact CB-CD2 3.79Å; Q225-L231 HydrophobicContact CB-CG 4.32Å; Q225-L231 HydrophobicContact CG-CD2 4.46Å
226	G	85.2	Confident	88.3	Confident	28 Å²	28	40.1 Å²	40.1	29%	0.289	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-142.3	-176.3	0	0	0	0	0	112.2	T197 W228	T197-G226 VanDerWaalsContact CG2-CA 3.47Å; T197-G226 PolarHBondContact OG1-N 3.24Å; G226-W228 PolarHBondContact O-N 3.47Å
227	P	79.9	Confident	88.3	Confident	65 Å²	65	36.9 Å²	36.9	42%	0.422	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.6	179.7	35.5	-37.8	0	0	0	113.2	F168 Y337	F168-P227 HydrophobicContact CZ-CG 4.5Å; P227-Y337 HydrophobicContact CG-CD2 4.36Å; P227-Y337 HydrophobicContact CG-CG 4.06Å
228	W	83.8	Confident	88.5	Confident	14 Å²	14	31.9 Å²	31.9	5%	0.053	16%	0.157	C	C	.	.			trans	-79.3	154.4	-177.5	-59	114.5	0	0	0	111.7	Q225 G226 N234 M236 H335 Y337 E338 A342 V344	Q225-W228 HydrophobicContact CG-CB 4.39Å; Q225-W228 VanDerWaalsContact CG-O 3.22Å; Q225-W228 WeakPolarHBondContact CG-O 3.29Å; Q225-W228 PolarHBondContact NE2-O 2.94Å; Q225-W228 WeakPolarHBondContact O-CB 3.47Å; Q225-W228 PolarHBondContact O-N 2.95Å; G226-W228 PolarHBondContact O-N 3.47Å; W228-N234 HydrophobicContact CE3-CB 4.32Å; W228-M236 HydrophobicContact CE3-CE 4.05Å; W228-M236 HydrophobicContact CZ3-CE 3.48Å; W228-M236 VanDerWaalsContact CZ3-CE 3.48Å; W228-M236 HydrophobicContact CZ3-SD 4.25Å; W228-H335 HydrophobicContact CH2-CB 3.94Å; W228-H335 AromaticContact CH2-CE1 3.64Å; W228-H335 AromaticContact CH2-CG 3.46Å; W228-H335 VanDerWaalsContact CH2-CG 3.46Å; W228-H335 AromaticContact CH2-ND1 3.18Å; W228-H335 WeakPolarHBondContact CH2-ND1 3.38Å; W228-H335 HydrophobicContact CZ2-CB 4.01Å; W228-H335 AromaticContact CZ2-CG 3.84Å; W228-H335 AromaticContact CZ2-ND1 3.4Å; W228-H335 WeakPolarHBondContact CZ2-ND1 3.2Å; W228-Y337 PolarHBondContact NE1-O 3.46Å; W228-E338 HydrophobicContact CZ2-CG 4.27Å; W228-A342 HydrophobicContact CB-CB 3.93Å; W228-A342 HydrophobicContact CG-CB 3.83Å; W228-V344 HydrophobicContact CE3-CG2 4.36Å; W228-V344 HydrophobicContact CH2-CG2 3.2Å; W228-V344 HydrophobicContact CZ2-CG2 3.79Å; W228-V344 HydrophobicContact CZ3-CG2 3.56Å
229	K	80.1	Confident	88.5	Confident	50 Å²	50	29.3 Å²	29.3	22%	0.217	15%	0.148	C	C	.	.	S	Bend	trans	-70	-41.3	176.6	-177	172.5	-168.5	140.7	0	112.8	Q225 N234 Y280 G291 E294	Q225-K229 VanDerWaalsContact NE2-C 3.3Å; Q225-K229 PolarHBondContact NE2-O 3.41Å; K229-N234 PolarHBondContact N-OD1 3.34Å; K229-Y280 HydrophobicContact CB-CE1 3.84Å; K229-Y280 PolarHBondContact N-OH 2.89Å; K229-Y280 VanDerWaalsContact N-OH 3.15Å; K229-G291 PolarHBondContact NZ-O 3.31Å; K229-E294 IonicContact NZ-OE1 2.76Å; K229-E294 IonicContact NZ-OE2 3.72Å; K229-E294 PolarHBondContact NZ-OE2 3.47Å
230	N	84.5	Confident	88.4	Confident	83 Å²	83	28.1 Å²	28.1	44%	0.444	14%	0.143	S	C	.	.	S	Bend	trans	-126.6	146.5	-174.4	-61.1	-52.3	0	0	0	110.5	N234	N230-N234 PolarHBondContact N-OD1 3.26Å; N230-N234 VanDerWaalsContact N-OD1 3.08Å; N230-N234 PolarHBondContact O-ND2 3.21Å
231	L	87.6	Confident	88.3	Confident	46 Å²	46	27.8 Å²	27.8	24%	0.241	14%	0.141	C	C	.	.	S	Bend	trans	-61.9	143.1	153.3	-64.6	168.1	0	0	0	109.1	F201 H213 Q225 N341	F201-L231 HydrophobicContact CE2-CD1 3.8Å; F201-L231 HydrophobicContact CE2-CD2 3.6Å; F201-L231 HydrophobicContact CE2-CG 4.35Å; F201-L231 HydrophobicContact CZ-CD1 4.48Å; F201-L231 HydrophobicContact CZ-CD2 3.84Å; H213-L231 HydrophobicContact CB-CB 4.28Å; H213-L231 WeakPolarHBondContact ND1-CB 3.3Å; Q225-L231 HydrophobicContact CB-CD2 3.79Å; Q225-L231 HydrophobicContact CB-CG 4.32Å; Q225-L231 HydrophobicContact CG-CD2 4.46Å; L231-N341 HydrophobicContact CD2-CB 3.93Å
232	G	91.1	Very high	88	Confident	2 Å²	2	29 Å²	29	2%	0.021	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87	-136.6	-177.8	0	0	0	0	0	113.2	N234 N341 A342 W343	G232-N234 PolarHBondContact O-N 3.15Å; G232-N234 PolarHBondContact O-ND2 3.21Å; G232-N341 WeakPolarHBondContact CA-O 3.44Å; G232-N341 PolarHBondContact N-O 3.19Å; G232-A342 WeakPolarHBondContact O-CA 3.48Å; G232-W343 PolarHBondContact O-N 3.16Å
233	E	91.2	Very high	87.8	Confident	63 Å²	63	30 Å²	30	29%	0.294	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113.7	-173.1	-175.2	-176.3	116.6	0	0	111.6	R235 W343 K345	E233-R235 HydrophobicContact CG-CG 4.21Å; E233-R235 WeakPolarHBondContact OE1-CG 3.28Å; E233-R235 IonicContact OE1-CZ 3.92Å; E233-R235 IonicContact OE1-NE 3.95Å; E233-R235 PolarHBondContact OE1-NE 3.09Å; E233-R235 IonicContact OE1-NH2 3.43Å; E233-R235 PolarHBondContact OE1-NH2 3.08Å; E233-W343 HydrophobicContact CB-CZ2 4.42Å; E233-K345 HydrophobicContact CG-CB 3.63Å; E233-K345 HydrophobicContact CG-CD 3.86Å; E233-K345 HydrophobicContact CG-CG 4.49Å; E233-K345 WeakPolarHBondContact OE1-CD 3.32Å; E233-K345 IonicContact OE1-NZ 2.91Å; E233-K345 PolarHBondContact OE1-NZ 2.88Å; E233-K345 WeakPolarHBondContact OE2-CD 3.43Å; E233-K345 IonicContact OE2-NZ 3.32Å; E233-K345 PolarHBondContact OE2-NZ 3.23Å
234	N	90	Very high	87.5	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.5	169.8	-68.3	-88.6	0	0	0	109.2	W228 K229 N230 G232 Y280 W343 V344 K345	W228-N234 HydrophobicContact CE3-CB 4.32Å; K229-N234 PolarHBondContact N-OD1 3.34Å; N230-N234 PolarHBondContact N-OD1 3.26Å; N230-N234 VanDerWaalsContact N-OD1 3.08Å; N230-N234 PolarHBondContact O-ND2 3.21Å; G232-N234 PolarHBondContact O-N 3.15Å; G232-N234 PolarHBondContact O-ND2 3.21Å; N234-Y280 HydrophobicContact CB-CE1 4.1Å; N234-W343 WeakPolarHBondContact CB-O 3.44Å; N234-W343 PolarHBondContact N-O 3.47Å; N234-W343 PolarHBondContact ND2-O 2.93Å; N234-V344 WeakPolarHBondContact O-CA 3.48Å; N234-K345 PolarHBondContact O-N 2.93Å
235	R	91.2	Very high	87.4	Confident	138 Å²	138	36 Å²	36	52%	0.521	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.7	-174.8	-69.9	179.8	173.2	169.3	6.8	110.6	E233 R281	E233-R235 HydrophobicContact CG-CG 4.21Å; E233-R235 WeakPolarHBondContact OE1-CG 3.28Å; E233-R235 IonicContact OE1-CZ 3.92Å; E233-R235 IonicContact OE1-NE 3.95Å; E233-R235 PolarHBondContact OE1-NE 3.09Å; E233-R235 IonicContact OE1-NH2 3.43Å; E233-R235 PolarHBondContact OE1-NH2 3.08Å; R235-R281 HydrophobicContact CB-CB 4.1Å; R235-R281 PolarHBondContact O-N 2.95Å
236	M	89.9	Confident	87.4	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.9	-178.7	-63	-171	160.5	0	0	112.6	W228 M278 F279 Y280 R281 V344 K345 A346 K347	W228-M236 HydrophobicContact CE3-CE 4.05Å; W228-M236 HydrophobicContact CZ3-CE 3.48Å; W228-M236 VanDerWaalsContact CZ3-CE 3.48Å; W228-M236 HydrophobicContact CZ3-SD 4.25Å; M236-M278 HydrophobicContact CB-CB 4.24Å; M236-M278 HydrophobicContact SD-CB 3.68Å; M236-M278 HydrophobicContact SD-SD 4.19Å; M236-F279 CarbonylContact C-O 3.59Å; M236-F279 WeakPolarHBondContact CA-O 3.46Å; M236-Y280 HydrophobicContact CE-CD1 4.01Å; M236-Y280 HydrophobicContact CE-CD2 4.04Å; M236-Y280 HydrophobicContact CE-CE1 3.64Å; M236-Y280 HydrophobicContact CE-CE2 3.68Å; M236-Y280 HydrophobicContact CE-CG 4.21Å; M236-Y280 VanDerWaalsContact CE-CZ 3.48Å; M236-R281 PolarHBondContact O-NH2 2.92Å; M236-V344 HydrophobicContact CB-CG1 4.12Å; M236-V344 HydrophobicContact CG-CG1 4.08Å; M236-V344 HydrophobicContact SD-CG1 3.87Å; M236-V344 HydrophobicContact SD-CG2 3.93Å; M236-K345 PolarHBondContact N-O 3.43Å; M236-A346 CarbonylContact O-C 3.57Å; M236-A346 WeakPolarHBondContact O-CA 3.28Å; M236-K347 PolarHBondContact O-N 3.27Å
237	D	90.4	Very high	87.3	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.032	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.4	176	-83.1	-39.8	0	0	0	109.6	F279 R281 K347 Y349	D237-F279 PolarHBondContact N-O 3.24Å; D237-F279 PolarHBondContact O-N 3.36Å; D237-R281 IonicContact OD1-CZ 3.41Å; D237-R281 IonicContact OD1-NE 2.77Å; D237-R281 PolarHBondContact OD1-NE 2.79Å; D237-R281 VanDerWaalsContact OD1-NE 3.12Å; D237-R281 IonicContact OD1-NH2 2.82Å; D237-R281 PolarHBondContact OD1-NH2 3.25Å; D237-R281 WeakPolarHBondContact OD2-CB 3.45Å; D237-R281 VanDerWaalsContact OD2-CG 3.25Å; D237-R281 WeakPolarHBondContact OD2-CG 3.32Å; D237-R281 IonicContact OD2-CZ 2.71Å; D237-R281 IonicContact OD2-NE 3.22Å; D237-R281 PolarHBondContact OD2-NE 2.87Å; D237-R281 IonicContact OD2-NH2 3.2Å; D237-K347 WeakPolarHBondContact OD1-CD 3.11Å; D237-Y349 HydrophobicContact CB-CE1 3.77Å
238	I	89.9	Confident	87.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	96.1	178.3	-49	-178.9	0	0	0	108.3	A276 M278 L333 A346 K347 V348 Y349 F394	I238-A276 HydrophobicContact CG2-CB 3.63Å; I238-M278 HydrophobicContact CD1-CE 3.81Å; I238-M278 HydrophobicContact CD1-CG 3.65Å; I238-M278 HydrophobicContact CD1-SD 3.84Å; I238-M278 HydrophobicContact CG1-CB 4.31Å; I238-M278 HydrophobicContact CG1-CG 3.89Å; I238-L333 HydrophobicContact CD1-CD2 3.71Å; I238-A346 HydrophobicContact CD1-CB 3.8Å; I238-A346 HydrophobicContact CG1-CB 4.35Å; I238-K347 PolarHBondContact N-O 3.41Å; I238-V348 HydrophobicContact CB-CG1 4.45Å; I238-V348 HydrophobicContact CB-CG2 4.22Å; I238-V348 HydrophobicContact CD1-CG2 4.19Å; I238-V348 WeakPolarHBondContact O-CA 3.44Å; I238-Y349 PolarHBondContact O-N 3.27Å; I238-Y349 VanDerWaalsContact O-N 3.14Å; I238-F394 HydrophobicContact CD1-CE1 4.14Å; I238-F394 HydrophobicContact CD1-CZ 4.45Å; I238-F394 HydrophobicContact CG2-CE1 4.22Å; I238-F394 HydrophobicContact CG2-CZ 3.77Å
239	P	90.5	Very high	87.4	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.019	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.7	177.6	28.1	-27.5	0	0	0	111.4	L241 F279 A297 F301 M322 Y349	P239-L241 HydrophobicContact CB-CD1 4.1Å; P239-L241 HydrophobicContact CG-CD1 4.46Å; P239-F279 HydrophobicContact CG-CD2 4.34Å; P239-F279 HydrophobicContact CG-CE2 4.17Å; P239-A297 HydrophobicContact CG-CB 4.27Å; P239-F301 HydrophobicContact CB-CE2 4.35Å; P239-F301 HydrophobicContact CG-CE2 3.54Å; P239-F301 HydrophobicContact CG-CZ 4.14Å; P239-M322 HydrophobicContact CB-CE 4.4Å; P239-Y349 HydrophobicContact CB-CD2 4.31Å; P239-Y349 HydrophobicContact CB-CE2 3.55Å
240	I	88.5	Confident	87.8	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.015	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	114.9	167.5	-53.1	175.1	0	0	0	107.6	I242 I251 I328 V348 Y349 I350 I351 V389 A393 F394	I240-I242 HydrophobicContact CG2-CG1 4.36Å; I240-I251 HydrophobicContact CG2-CD1 3.67Å; I240-I251 HydrophobicContact CG2-CG1 4.04Å; I240-I328 HydrophobicContact CD1-CD1 4.16Å; I240-V348 HydrophobicContact CD1-CG1 3.82Å; I240-V348 HydrophobicContact CG1-CG1 4.18Å; I240-Y349 PolarHBondContact N-O 2.63Å; I240-I350 HydrophobicContact CB-CG1 4.19Å; I240-I350 HydrophobicContact CD1-CG1 4.28Å; I240-I350 CarbonylContact O-C 3.6Å; I240-I350 WeakPolarHBondContact O-CA 3.36Å; I240-I351 PolarHBondContact O-N 3.41Å; I240-V389 HydrophobicContact CD1-CG1 4.35Å; I240-V389 HydrophobicContact CG2-CG1 3.91Å; I240-A393 HydrophobicContact CD1-CB 4.36Å; I240-F394 HydrophobicContact CD1-CE2 3.9Å; I240-F394 HydrophobicContact CG1-CE2 4.48Å
241	L	88.3	Confident	87.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.6	-178.1	-62.3	96.3	0	0	0	110.4	P239 I251 M252 F301 V353 L359 W375	P239-L241 HydrophobicContact CB-CD1 4.1Å; P239-L241 HydrophobicContact CG-CD1 4.46Å; L241-I251 WeakPolarHBondContact O-CA 3.31Å; L241-M252 HydrophobicContact CB-CB 4.06Å; L241-M252 HydrophobicContact CB-CE 3.75Å; L241-M252 HydrophobicContact CD1-CE 3.64Å; L241-M252 HydrophobicContact CD1-SD 4.08Å; L241-M252 HydrophobicContact CD2-CE 3.61Å; L241-M252 HydrophobicContact CG-CE 3.84Å; L241-M252 PolarHBondContact O-N 3.26Å; L241-F301 HydrophobicContact CD1-CE1 3.96Å; L241-F301 HydrophobicContact CD1-CE2 4.14Å; L241-F301 HydrophobicContact CD1-CZ 3.55Å; L241-V353 HydrophobicContact CB-CG2 4.25Å; L241-V353 HydrophobicContact CD2-CG2 4.11Å; L241-L359 HydrophobicContact CD2-CB 4.07Å; L241-L359 HydrophobicContact CD2-CD1 3.82Å; L241-L359 HydrophobicContact CD2-CD2 4.04Å; L241-L359 HydrophobicContact CD2-CG 4.19Å; L241-W375 HydrophobicContact CB-CH2 3.87Å; L241-W375 HydrophobicContact CB-CZ3 4.29Å
242	I	87.5	Confident	87.9	Confident	24 Å²	24	40.9 Å²	40.9	12%	0.123	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.8	179.9	-53.1	177.3	0	0	0	108.4	I240 Q250 I251 I350 I351 I352 V353 V389	I240-I242 HydrophobicContact CG2-CG1 4.36Å; I242-Q250 CarbonylContact C-O 3.59Å; I242-Q250 WeakPolarHBondContact CA-O 3.14Å; I242-I251 HydrophobicContact CG1-CG1 4.48Å; I242-I350 HydrophobicContact CD1-CG2 3.69Å; I242-I350 HydrophobicContact CG1-CG2 4.2Å; I242-I351 PolarHBondContact N-O 2.88Å; I242-I352 CarbonylContact O-C 3.58Å; I242-I352 WeakPolarHBondContact O-CA 3.26Å; I242-V353 PolarHBondContact O-N 2.87Å; I242-V389 HydrophobicContact CD1-CG1 3.95Å; I242-V389 HydrophobicContact CD1-CG2 3.96Å
243	R	87.7	Confident	87.6	Confident	23 Å²	23	41.9 Å²	41.9	9%	0.087	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.4	174.5	73.4	179.4	-177.9	169.3	4.6	111.6	R249 Q250 V353 Y360 W375	R243-R249 WeakPolarHBondContact O-CA 3.34Å; R243-Q250 HydrophobicContact CG-CB 4.04Å; R243-Q250 PolarHBondContact N-O 3.4Å; R243-Q250 PolarHBondContact O-N 3.36Å; R243-V353 HydrophobicContact CB-CB 4Å; R243-V353 HydrophobicContact CB-CG1 4.41Å; R243-Y360 HydrophobicContact CB-CD2 4.15Å; R243-Y360 HydrophobicContact CB-CE2 4.1Å; R243-Y360 HydrophobicContact CG-CE2 4.42Å; R243-Y360 PolarHBondContact NH1-O 2.87Å; R243-W375 HydrophobicContact CB-CH2 4.15Å; R243-W375 HydrophobicContact CB-CZ3 4.23Å; R243-W375 HydrophobicContact CG-CD2 4.33Å; R243-W375 HydrophobicContact CG-CE3 3.94Å; R243-W375 HydrophobicContact CG-CH2 3.92Å; R243-W375 HydrophobicContact CG-CZ2 4.31Å; R243-W375 HydrophobicContact CG-CZ3 3.73Å; R243-W375 VanDerWaalsContact CZ-CD1 3.4Å; R243-W375 VanDerWaalsContact NH2-CD1 3.32Å
244	S	86.4	Confident	86.9	Confident	58 Å²	58	41.3 Å²	41.3	41%	0.406	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	123.8	163.1	-173.2	0	0	0	0	108.3	Y360	S244-Y360 VanDerWaalsContact O-CE2 3.26Å; S244-Y360 WeakPolarHBondContact O-CE2 3.36Å; S244-Y360 PolarHBondContact O-OH 2.8Å
245	Y	86	Confident	86	Confident	75 Å²	75	45.7 Å²	45.7	29%	0.294	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.5	178.3	-175.4	-98.7	0	0	0	109.1	G247 V248 Y360	Y245-G247 VanDerWaalsContact C-N 3.26Å; Y245-G247 PolarHBondContact O-N 3.3Å; Y245-V248 PolarHBondContact N-O 3Å; Y245-V248 PolarHBondContact O-N 3.43Å; Y245-V248 VanDerWaalsContact O-N 3.1Å; Y245-Y360 HydrophobicContact CD2-CE1 4.1Å; Y245-Y360 AromaticContact CD2-CZ 3.97Å; Y245-Y360 WeakPolarHBondContact CD2-OH 3.27Å
246	R	86.3	Confident	84.4	Confident	206 Å²	206	44.9 Å²	44.9	78%	0.777	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	43.6	-177.6	-60.4	-177.9	174.1	-174.9	-3.4	113.1	V248	R246-V248 VanDerWaalsContact C-N 3.28Å; R246-V248 PolarHBondContact O-N 3.18Å
247	G	82.5	Confident	82.4	Confident	60 Å²	60	51.2 Å²	51.2	62%	0.619	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	2.9	178.4	0	0	0	0	0	115.5	Y245	Y245-G247 VanDerWaalsContact C-N 3.26Å; Y245-G247 PolarHBondContact O-N 3.3Å
248	V	84.4	Confident	80	Confident	57 Å²	57	53.2 Å²	53.2	35%	0.345	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.7	177.4	-176.2	0	0	0	0	110.2	Y245 R246 Y378	Y245-V248 PolarHBondContact N-O 3Å; Y245-V248 PolarHBondContact O-N 3.43Å; Y245-V248 VanDerWaalsContact O-N 3.1Å; R246-V248 VanDerWaalsContact C-N 3.28Å; R246-V248 PolarHBondContact O-N 3.18Å; V248-Y378 WeakPolarHBondContact CG1-O 3.45Å
249	R	82.1	Confident	77.2	Confident	103 Å²	103	57.4 Å²	57.4	39%	0.389	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	132.3	173.3	-70.6	177.8	-175.4	-167.9	-0.4	111.4	R243 Y378 D380 L383	R243-R249 WeakPolarHBondContact O-CA 3.34Å; R249-Y378 PolarHBondContact O-N 2.85Å; R249-D380 WeakPolarHBondContact CG-OD1 3.45Å; R249-D380 IonicContact NE-OD1 3.76Å; R249-L383 HydrophobicContact CB-CD1 3.94Å; R249-L383 PolarHBondContact NH1-O 2.9Å
250	Q	87.5	Confident	74.6	Confident	17 Å²	17	65.5 Å²	65.5	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	142.8	175	-58.8	-172.6	-33.8	0	0	109.9	I242 R243 W375 K376 S377	I242-Q250 CarbonylContact C-O 3.59Å; I242-Q250 WeakPolarHBondContact CA-O 3.14Å; R243-Q250 HydrophobicContact CG-CB 4.04Å; R243-Q250 PolarHBondContact N-O 3.4Å; R243-Q250 PolarHBondContact O-N 3.36Å; Q250-W375 HydrophobicContact CB-CE3 3.97Å; Q250-K376 VanDerWaalsContact CA-O 3.26Å; Q250-K376 WeakPolarHBondContact CA-O 3.34Å; Q250-S377 PolarHBondContact NE2-OG 3.17Å
251	I	86.4	Confident	71.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142	171.1	-177.7	171.1	0	0	0	108.1	I240 L241 I242 V253 K376 Y378 L383 V389 T392	I240-I251 HydrophobicContact CG2-CD1 3.67Å; I240-I251 HydrophobicContact CG2-CG1 4.04Å; L241-I251 WeakPolarHBondContact O-CA 3.31Å; I242-I251 HydrophobicContact CG1-CG1 4.48Å; I251-V253 HydrophobicContact CG2-CG1 4.11Å; I251-K376 PolarHBondContact N-O 2.87Å; I251-K376 PolarHBondContact O-N 3.44Å; I251-Y378 HydrophobicContact CG2-CD2 3.48Å; I251-Y378 VanDerWaalsContact CG2-CD2 3.48Å; I251-Y378 HydrophobicContact CG2-CE2 3.16Å; I251-L383 HydrophobicContact CG2-CD1 4.46Å; I251-V389 HydrophobicContact CD1-CG1 4.08Å; I251-T392 HydrophobicContact CD1-CG2 4.24Å; I251-T392 HydrophobicContact CG2-CG2 4.04Å
252	M	87.4	Confident	69.2	Low	10 Å²	10	75.4 Å²	75.4	5%	0.049	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.4	174.8	-159.3	-170.1	-55.9	0	0	110.2	L241 F301 M362 Y373 Q374 W375	L241-M252 HydrophobicContact CB-CB 4.06Å; L241-M252 HydrophobicContact CB-CE 3.75Å; L241-M252 HydrophobicContact CD1-CE 3.64Å; L241-M252 HydrophobicContact CD1-SD 4.08Å; L241-M252 HydrophobicContact CD2-CE 3.61Å; L241-M252 HydrophobicContact CG-CE 3.84Å; L241-M252 PolarHBondContact O-N 3.26Å; M252-F301 HydrophobicContact CE-CE1 3.89Å; M252-F301 HydrophobicContact SD-CE1 3.71Å; M252-F301 HydrophobicContact SD-CZ 4.3Å; M252-M362 HydrophobicContact CE-CE 3.12Å; M252-M362 HydrophobicContact CE-SD 4.24Å; M252-M362 HydrophobicContact SD-CE 4.44Å; M252-Y373 HydrophobicContact CG-CD1 3.67Å; M252-Y373 HydrophobicContact CG-CE1 4.43Å; M252-Y373 HydrophobicContact CG-CG 4.17Å; M252-Y373 HydrophobicContact SD-CD1 3.56Å; M252-Y373 VanDerWaalsContact SD-CD1 3.56Å; M252-Y373 HydrophobicContact SD-CD2 4.39Å; M252-Y373 HydrophobicContact SD-CE1 4.15Å; M252-Y373 HydrophobicContact SD-CG 3.67Å; M252-Q374 WeakPolarHBondContact CA-O 3.21Å; M252-W375 HydrophobicContact CB-CE3 4.07Å; M252-W375 HydrophobicContact CB-CH2 4.33Å; M252-W375 HydrophobicContact CB-CZ3 3.93Å; M252-W375 HydrophobicContact CE-CH2 3.89Å; M252-W375 HydrophobicContact CE-CZ2 3.71Å
253	V	84.5	Confident	66.3	Low	23 Å²	23	78.1 Å²	78.1	14%	0.139	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157.6	-178.2	-61	0	0	0	0	110.1	I251 Y373 Q374 K376 T392	I251-V253 HydrophobicContact CG2-CG1 4.11Å; V253-Y373 CarbonylContact O-C 3.52Å; V253-Y373 WeakPolarHBondContact O-CA 3.43Å; V253-Q374 HydrophobicContact CG2-CG 3.91Å; V253-Q374 PolarHBondContact N-O 2.87Å; V253-Q374 PolarHBondContact O-N 3.5Å; V253-K376 HydrophobicContact CG2-CB 3.75Å; V253-K376 HydrophobicContact CG2-CD 4.18Å; V253-T392 HydrophobicContact CG1-CG2 4.43Å
254	I	78.2	Confident	63.7	Low	52 Å²	52	79.8 Å²	79.8	27%	0.267	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	135.3	172.1	-64.8	169	0	0	0	108.9	K256 A277 L371 Y373	I254-K256 PolarHBondContact O-N 3.36Å; I254-A277 HydrophobicContact CD1-CB 4.28Å; I254-L371 WeakPolarHBondContact CG2-O 3.28Å; I254-Y373 HydrophobicContact CD1-CE1 4.41Å; I254-Y373 HydrophobicContact CG1-CD1 3.97Å; I254-Y373 HydrophobicContact CG1-CE1 3.73Å
255	K	70.9	Confident	61.4	Low	93 Å²	93	81.3 Å²	81.3	40%	0.404	42%	0.417	S	S	.	.			trans	-70.3	127.2	-178.4	-171.9	-179.7	176.2	-172.8	0	111	N257 S258 D372 Q374	K255-N257 PolarHBondContact O-N 2.81Å; K255-S258 PolarHBondContact O-OG 3.19Å; K255-D372 HydrophobicContact CB-CB 3.96Å; K255-D372 WeakPolarHBondContact CB-O 3.27Å; K255-D372 PolarHBondContact N-O 2.86Å; K255-Q374 HydrophobicContact CB-CG 4.3Å
256	K	58.2	Low	59	Low	120 Å²	120	81 Å²	81	52%	0.522	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-58.1	-16.5	-172.5	-65.2	-174.6	172.3	-167.5	0	117.5	I254 S258 S259	I254-K256 PolarHBondContact O-N 3.36Å; K256-S258 PolarHBondContact O-N 2.87Å; K256-S259 WeakPolarHBondContact O-CA 3.05Å; K256-S259 VanDerWaalsContact O-CB 3.3Å; K256-S259 WeakPolarHBondContact O-CB 3.42Å; K256-S259 PolarHBondContact O-N 3.23Å
257	N	46.4	Very low	56.3	Low	141 Å²	141	80.6 Å²	80.6	75%	0.754	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-69.8	-12.3	-175.1	-77.7	19.9	0	0	0	112.9	K255 S259	K255-N257 PolarHBondContact O-N 2.81Å; N257-S259 PolarHBondContact O-N 3.49Å
258	S	39.7	Very low	53.8	Low	49 Å²	49	80.6 Å²	80.6	34%	0.343	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-80.4	27.8	163.1	48.6	0	0	0	0	112.2	K255 K256 Y260	K255-S258 PolarHBondContact O-OG 3.19Å; K256-S258 PolarHBondContact O-N 2.87Å; S258-Y260 WeakPolarHBondContact O-CD2 3.46Å; S258-Y260 PolarHBondContact O-N 3.26Å
259	S	31.8	Very low	51.2	Low	88 Å²	88	81.9 Å²	81.9	62%	0.615	43%	0.429	S	S	*	.			trans	-56.5	100.7	176.6	54.8	0	0	0	0	109.2	K256 N257 E261	K256-S259 WeakPolarHBondContact O-CA 3.05Å; K256-S259 VanDerWaalsContact O-CB 3.3Å; K256-S259 WeakPolarHBondContact O-CB 3.42Å; K256-S259 PolarHBondContact O-N 3.23Å; N257-S259 PolarHBondContact O-N 3.49Å; S259-E261 PolarHBondContact O-N 2.97Å; S259-E261 VanDerWaalsContact O-N 3.09Å
260	Y	36.4	Very low	48.6	Very low	172 Å²	172	81.9 Å²	81.9	68%	0.675	44%	0.436	S	S	*	.			trans	-64.7	108.5	160.1	-65.6	-85.7	0	0	0	106	S258 V262	S258-Y260 WeakPolarHBondContact O-CD2 3.46Å; S258-Y260 PolarHBondContact O-N 3.26Å; Y260-V262 VanDerWaalsContact C-N 3.25Å; Y260-V262 PolarHBondContact O-N 2.93Å
261	E	28.3	Very low	46.1	Very low	147 Å²	147	89.5 Å²	89.5	69%	0.687	47%	0.465	S	S	*	.			trans	-64.9	92.7	167.9	-166.4	178.6	-164	0	0	106.7	S259 T263	S259-E261 PolarHBondContact O-N 2.97Å; S259-E261 VanDerWaalsContact O-N 3.09Å; E261-T263 VanDerWaalsContact C-N 3.3Å; E261-T263 PolarHBondContact O-N 3.19Å; E261-T263 VanDerWaalsContact O-N 3.17Å
262	V	33.8	Very low	43.5	Very low	65 Å²	65	93.8 Å²	93.8	39%	0.394	49%	0.488	S	S	.	.			trans	-80.3	92	165.1	-175.9	0	0	0	0	105.5	Y260 T264 L272	Y260-V262 VanDerWaalsContact C-N 3.25Å; Y260-V262 PolarHBondContact O-N 2.93Å; V262-T264 HydrophobicContact CG1-CG2 4.03Å; V262-T264 PolarHBondContact O-N 2.97Å; V262-L272 HydrophobicContact CG2-CD1 3.96Å
263	T	27.5	Very low	41.2	Very low	82 Å²	82	96.9 Å²	96.9	50%	0.503	50%	0.504	S	S	.	.			trans	-70.8	78.3	176.2	-45.7	0	0	0	0	109.5	E261 T265	E261-T263 VanDerWaalsContact C-N 3.3Å; E261-T263 PolarHBondContact O-N 3.19Å; E261-T263 VanDerWaalsContact O-N 3.17Å; T263-T265 PolarHBondContact O-N 2.93Å
264	T	32.8	Very low	39.5	Very low	58 Å²	58	97.3 Å²	97.3	36%	0.356	51%	0.514	S	S	.	.			trans	-73.4	118.3	164.4	63.1	0	0	0	0	107.7	V262 V266	V262-T264 HydrophobicContact CG1-CG2 4.03Å; V262-T264 PolarHBondContact O-N 2.97Å; T264-V266 PolarHBondContact O-N 3.26Å
265	T	37.8	Very low	38.3	Very low	90 Å²	90	96.8 Å²	96.8	55%	0.552	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-4	-174.9	43.6	0	0	0	0	114.9	T263	T263-T265 PolarHBondContact O-N 2.93Å
266	V	35.4	Very low	37.9	Very low	67 Å²	67	93 Å²	93	41%	0.406	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-30.8	-166.7	-174.7	0	0	0	0	115.6	K156 T264	K156-V266 HydrophobicContact CB-CG2 4.27Å; K156-V266 HydrophobicContact CD-CG1 3.65Å; K156-V266 HydrophobicContact CD-CG2 4.02Å; K156-V266 HydrophobicContact CG-CG1 4.28Å; K156-V266 HydrophobicContact CG-CG2 3.95Å; T264-V266 PolarHBondContact O-N 3.26Å
267	R	31.4	Very low	38.9	Very low	199 Å²	199	88 Å²	88	75%	0.751	48%	0.481	S	S	*	.	S	Bend	trans	-155.7	84.2	178.1	-71.8	-167.3	-178.4	165	0.8	113.4
268	G	29.2	Very low	40.7	Very low	60 Å²	60	83 Å²	83	62%	0.619	45%	0.454	S	S	*	.	S	Bend	trans	64.5	167.6	163.3	0	0	0	0	0	115.2	I270	G268-I270 PolarHBondContact O-N 3.3Å; G268-I270 VanDerWaalsContact O-N 3.09Å
269	T	29.6	Very low	43	Very low	84 Å²	84	81.3 Å²	81.3	52%	0.515	44%	0.44	S	S	.	.			trans	-68.7	106	175.6	-47.3	0	0	0	0	109	Y271	T269-Y271 HydrophobicContact CG2-CD1 4.39Å; T269-Y271 HydrophobicContact CG2-CE1 4.1Å; T269-Y271 PolarHBondContact O-N 3.45Å
270	I	28.5	Very low	45.6	Very low	102 Å²	102	78.8 Å²	78.8	52%	0.523	42%	0.417	S	S	.	.			trans	-77	105	167.5	-59.4	176.1	0	0	0	106.7	G268 L272	G268-I270 PolarHBondContact O-N 3.3Å; G268-I270 VanDerWaalsContact O-N 3.09Å; I270-L272 PolarHBondContact O-N 3.39Å
271	Y	33.3	Very low	47.9	Very low	177 Å²	177	73.2 Å²	73.2	69%	0.694	40%	0.395	S	S	*	.			trans	-68.6	96.7	168.5	-59.1	-80.1	0	0	0	108.3	T269 N273	T269-Y271 HydrophobicContact CG2-CD1 4.39Å; T269-Y271 HydrophobicContact CG2-CE1 4.1Å; T269-Y271 PolarHBondContact O-N 3.45Å; Y271-N273 PolarHBondContact O-N 3.15Å
272	L	33.2	Very low	50.2	Low	90 Å²	90	70.7 Å²	70.7	47%	0.471	38%	0.382	S	S	.	.			trans	-63.1	110.8	167.6	-74.7	161.8	0	0	0	107.2	V262 I270 G274 D395	V262-L272 HydrophobicContact CG2-CD1 3.96Å; I270-L272 PolarHBondContact O-N 3.39Å; L272-G274 PolarHBondContact O-N 3.4Å; L272-D395 HydrophobicContact CD2-CB 4.02Å
273	N	38.7	Very low	52	Low	75 Å²	75	69.6 Å²	69.6	40%	0.401	38%	0.376	S	S	.	.			trans	-68.5	65.3	144.3	-64.9	-33.3	0	0	0	105.6	Y271 F394	Y271-N273 PolarHBondContact O-N 3.15Å; N273-F394 CarbonylContact O-C 3.59Å
274	G	49.7	Very low	53.9	Low	33 Å²	33	78.1 Å²	78.1	34%	0.34	40%	0.399	S	S	.	.			trans	-67.5	150.4	-173.2	0	0	0	0	0	109.5	L272	L272-G274 PolarHBondContact O-N 3.4Å
275	P	52.3	Low	55.2	Low	40 Å²	40	78.8 Å²	78.8	26%	0.26	41%	0.406	S	S	.	.			trans	-57.1	146.8	-153.5	19.7	-32.3	0	0	0	113.2	A277 M278 A393 F394	P275-A277 PolarHBondContact O-N 3.49Å; P275-M278 HydrophobicContact CB-CE 4.19Å; P275-M278 HydrophobicContact CG-CE 4.07Å; P275-A393 WeakPolarHBondContact CA-O 3.37Å; P275-F394 HydrophobicContact CB-CD1 3.77Å; P275-F394 HydrophobicContact CB-CE1 3.93Å
276	A	62.7	Low	56	Low	13 Å²	13	77 Å²	77	11%	0.107	41%	0.405	C	S	.	.			trans	-43.6	138.2	161.3	0	0	0	0	0	110	I238 M278 A393	I238-A276 HydrophobicContact CG2-CB 3.63Å; A276-M278 PolarHBondContact O-N 3.34Å; A276-A393 PolarHBondContact N-O 3.21Å
277	A	77.7	Confident	56.9	Low	16 Å²	16	81 Å²	81	13%	0.132	43%	0.425	C	S	.	.			trans	-54.3	142.9	-172.7	0	0	0	0	0	112	I254 P275 F279 L371 Y373	I254-A277 HydrophobicContact CD1-CB 4.28Å; P275-A277 PolarHBondContact O-N 3.49Å; A277-F279 HydrophobicContact CB-CE2 3.97Å; A277-F279 HydrophobicContact CB-CZ 3.96Å; A277-L371 HydrophobicContact CB-CD1 3.58Å; A277-L371 HydrophobicContact CB-CD2 4.48Å; A277-Y373 HydrophobicContact CB-CE2 4.4Å; A277-Y373 VanDerWaalsContact CB-OH 3.23Å; A277-Y373 WeakPolarHBondContact CB-OH 3.24Å; A277-Y373 PolarHBondContact N-OH 3.21Å
278	M	84.6	Confident	58	Low	37 Å²	37	76.5 Å²	76.5	18%	0.182	42%	0.415	C	S	.	.			trans	-100.3	125	179.6	-51.6	-163.5	-174	0	0	109.1	M236 I238 P275 A276 L333 V344	M236-M278 HydrophobicContact CB-CB 4.24Å; M236-M278 HydrophobicContact SD-CB 3.68Å; M236-M278 HydrophobicContact SD-SD 4.19Å; I238-M278 HydrophobicContact CD1-CE 3.81Å; I238-M278 HydrophobicContact CD1-CG 3.65Å; I238-M278 HydrophobicContact CD1-SD 3.84Å; I238-M278 HydrophobicContact CG1-CB 4.31Å; I238-M278 HydrophobicContact CG1-CG 3.89Å; P275-M278 HydrophobicContact CB-CE 4.19Å; P275-M278 HydrophobicContact CG-CE 4.07Å; A276-M278 PolarHBondContact O-N 3.34Å; M278-L333 HydrophobicContact CE-CD2 3.78Å; M278-V344 HydrophobicContact SD-CG1 4.27Å
279	F	88	Confident	59.1	Low	12 Å²	12	77.7 Å²	77.7	5%	0.053	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.1	179.4	-58.9	-87.1	0	0	0	110.1	M236 D237 P239 A277 R281 A297 Y300 F301 L371 Y373	M236-F279 CarbonylContact C-O 3.59Å; M236-F279 WeakPolarHBondContact CA-O 3.46Å; D237-F279 PolarHBondContact N-O 3.24Å; D237-F279 PolarHBondContact O-N 3.36Å; P239-F279 HydrophobicContact CG-CD2 4.34Å; P239-F279 HydrophobicContact CG-CE2 4.17Å; A277-F279 HydrophobicContact CB-CE2 3.97Å; A277-F279 HydrophobicContact CB-CZ 3.96Å; F279-R281 PolarHBondContact O-N 3.38Å; F279-A297 HydrophobicContact CB-CB 3.87Å; F279-A297 HydrophobicContact CD1-CB 4.41Å; F279-A297 HydrophobicContact CD2-CB 3.65Å; F279-A297 HydrophobicContact CE2-CB 4.3Å; F279-A297 HydrophobicContact CG-CB 3.71Å; F279-Y300 VanDerWaalsContact CE1-CB 3.47Å; F279-Y300 AromaticContact CE1-CD1 3.83Å; F279-Y300 HydrophobicContact CE1-CD1 3.83Å; F279-Y300 HydrophobicContact CE1-CD2 4.13Å; F279-Y300 AromaticContact CE1-CG 3.5Å; F279-Y300 HydrophobicContact CE1-CG 3.5Å; F279-Y300 AromaticContact CZ-CD1 3.66Å; F279-Y300 HydrophobicContact CZ-CD1 3.66Å; F279-Y300 HydrophobicContact CZ-CE1 4.31Å; F279-Y300 AromaticContact CZ-CG 3.86Å; F279-Y300 HydrophobicContact CZ-CG 3.86Å; F279-F301 HydrophobicContact CE2-CE2 4.34Å; F279-L371 HydrophobicContact CE1-CD1 3.93Å; F279-L371 HydrophobicContact CZ-CD1 3.72Å; F279-Y373 HydrophobicContact CZ-CE2 4.43Å
280	Y	86.7	Confident	60	Low	36 Å²	36	79.5 Å²	79.5	14%	0.141	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	135.5	172.3	-82	-81.9	0	0	0	110.5	K229 N234 M236 E294	K229-Y280 HydrophobicContact CB-CE1 3.84Å; K229-Y280 PolarHBondContact N-OH 2.89Å; K229-Y280 VanDerWaalsContact N-OH 3.15Å; N234-Y280 HydrophobicContact CB-CE1 4.1Å; M236-Y280 HydrophobicContact CE-CD1 4.01Å; M236-Y280 HydrophobicContact CE-CD2 4.04Å; M236-Y280 HydrophobicContact CE-CE1 3.64Å; M236-Y280 HydrophobicContact CE-CE2 3.68Å; M236-Y280 HydrophobicContact CE-CG 4.21Å; M236-Y280 VanDerWaalsContact CE-CZ 3.48Å; Y280-E294 HydrophobicContact CD2-CB 3.93Å; Y280-E294 HydrophobicContact CD2-CG 3.96Å; Y280-E294 HydrophobicContact CE2-CG 4.25Å; Y280-E294 HydrophobicContact CG-CB 4.49Å
281	R	85	Confident	61.2	Low	54 Å²	54	77 Å²	77	20%	0.204	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-83.5	133.2	175.6	-176.2	-179.8	-58.8	120.9	24.6	110.1	R235 M236 D237 F279	R235-R281 HydrophobicContact CB-CB 4.1Å; R235-R281 PolarHBondContact O-N 2.95Å; M236-R281 PolarHBondContact O-NH2 2.92Å; D237-R281 IonicContact OD1-CZ 3.41Å; D237-R281 IonicContact OD1-NE 2.77Å; D237-R281 PolarHBondContact OD1-NE 2.79Å; D237-R281 VanDerWaalsContact OD1-NE 3.12Å; D237-R281 IonicContact OD1-NH2 2.82Å; D237-R281 PolarHBondContact OD1-NH2 3.25Å; D237-R281 WeakPolarHBondContact OD2-CB 3.45Å; D237-R281 VanDerWaalsContact OD2-CG 3.25Å; D237-R281 WeakPolarHBondContact OD2-CG 3.32Å; D237-R281 IonicContact OD2-CZ 2.71Å; D237-R281 IonicContact OD2-NE 3.22Å; D237-R281 PolarHBondContact OD2-NE 2.87Å; D237-R281 IonicContact OD2-NH2 3.2Å; F279-R281 PolarHBondContact O-N 3.38Å
282	K	77	Confident	62.2	Low	95 Å²	95	70.5 Å²	70.5	41%	0.413	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-59.4	131.5	169.4	-93.5	169.6	-173.9	176.5	0	112.1	Q292 T296 E299	K282-Q292 VanDerWaalsContact CG-OE1 3.22Å; K282-T296 HydrophobicContact CB-CG2 4.45Å; K282-T296 HydrophobicContact CD-CG2 3.74Å; K282-T296 HydrophobicContact CG-CG2 3.63Å; K282-E299 WeakPolarHBondContact CE-OE1 3.33Å; K282-E299 IonicContact NZ-OE1 3.54Å; K282-E299 PolarHBondContact NZ-OE1 2.79Å; K282-E299 IonicContact NZ-OE2 3.64Å
283	P	71.1	Confident	63.6	Low	42 Å²	42	71.3 Å²	71.3	27%	0.273	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-57.3	152.1	169.6	-19.5	30.4	0	0	0	111.2	D288	P283-D288 HydrophobicContact CB-CB 3.77Å; P283-D288 HydrophobicContact CG-CB 3.58Å
284	R	67.7	Low	65.1	Low	261 Å²	261	69.4 Å²	69.4	99%	0.985	40%	0.396	S	S	*	.	S	Bend	trans	-79.5	-20.7	175	-75.7	-177.1	173.9	172.7	-5.6	113.1
285	S	59.3	Low	66.4	Low	71 Å²	71	70.2 Å²	70.2	50%	0.497	39%	0.394	S	S	.	.	S	Bend	trans	-114.1	139.2	-173.1	49.5	0	0	0	0	111.7	N287 D288	S285-N287 VanDerWaalsContact C-N 3.34Å; S285-N287 PolarHBondContact O-N 3.19Å; S285-D288 PolarHBondContact O-N 3.45Å
286	G	54.7	Low	68	Low	52 Å²	52	68.3 Å²	68.3	54%	0.536	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-63.9	-27.1	-168.9	0	0	0	0	0	116.5	D288 L289	G286-D288 PolarHBondContact O-N 3.16Å; G286-D288 VanDerWaalsContact O-N 3.15Å; G286-L289 WeakPolarHBondContact O-CB 3.45Å; G286-L289 PolarHBondContact O-N 3.29Å; G286-L289 VanDerWaalsContact O-N 3.07Å
287	N	54.7	Low	69.2	Low	153 Å²	153	67.8 Å²	67.8	82%	0.818	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20.3	-176.7	-70.5	4.9	0	0	0	113.6	S285	S285-N287 VanDerWaalsContact C-N 3.34Å; S285-N287 PolarHBondContact O-N 3.19Å
288	D	55.1	Low	69.7	Low	103 Å²	103	69.5 Å²	69.5	55%	0.551	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-95.1	-2.7	177.8	-71.2	-24.5	0	0	0	113.2	P283 S285 G286	P283-D288 HydrophobicContact CB-CB 3.77Å; P283-D288 HydrophobicContact CG-CB 3.58Å; S285-D288 PolarHBondContact O-N 3.45Å; G286-D288 PolarHBondContact O-N 3.16Å; G286-D288 VanDerWaalsContact O-N 3.15Å
289	L	51.8	Low	69.8	Low	85 Å²	85	71.2 Å²	71.2	45%	0.445	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-78.3	-23.6	-174.7	-67.9	173.4	0	0	0	113.2	G286 G291 Q292	G286-L289 WeakPolarHBondContact O-CB 3.45Å; G286-L289 PolarHBondContact O-N 3.29Å; G286-L289 VanDerWaalsContact O-N 3.07Å; L289-G291 PolarHBondContact O-N 3Å; L289-Q292 PolarHBondContact O-N 3.09Å
290	S	48.9	Very low	69.8	Low	122 Å²	122	70.7 Å²	70.7	85%	0.853	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-70.4	-3.9	-168.4	62.6	0	0	0	0	115.2
291	G	53.4	Low	70	Confident	50 Å²	50	69 Å²	69	52%	0.515	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-131.5	23.3	179.6	0	0	0	0	0	114	K229 L289	K229-G291 PolarHBondContact NZ-O 3.31Å; L289-G291 PolarHBondContact O-N 3Å
292	Q	54.2	Low	70.1	Confident	41 Å²	41	67.6 Å²	67.6	19%	0.192	38%	0.377	C	S	.	.			trans	-97.1	98.7	178	-168.8	157.1	43.2	0	0	111.5	K282 L289 E294	K282-Q292 VanDerWaalsContact CG-OE1 3.22Å; L289-Q292 PolarHBondContact O-N 3.09Å; Q292-E294 WeakPolarHBondContact CG-OE2 3.44Å
293	T	63	Low	70.6	Confident	106 Å²	106	64.4 Å²	64.4	65%	0.65	37%	0.367	S	S	*	.			trans	-89	-16.1	166.9	50.5	0	0	0	0	111.7	F32	F32-T293 VanDerWaalsContact CZ-O 3.26Å; F32-T293 WeakPolarHBondContact CZ-O 3.26Å
294	E	70.1	Confident	71.4	Confident	36 Å²	36	62.5 Å²	62.5	17%	0.168	35%	0.354	C	S	.	.	S	Bend	trans	-76.2	130.1	-172.5	-53.5	90	159.9	0	0	114	F32 K229 Y280 Q292 T296	F32-E294 HydrophobicContact CE1-CB 4.28Å; F32-E294 HydrophobicContact CE1-CG 4.2Å; K229-E294 IonicContact NZ-OE1 2.76Å; K229-E294 IonicContact NZ-OE2 3.72Å; K229-E294 PolarHBondContact NZ-OE2 3.47Å; Y280-E294 HydrophobicContact CD2-CB 3.93Å; Y280-E294 HydrophobicContact CD2-CG 3.96Å; Y280-E294 HydrophobicContact CE2-CG 4.25Å; Y280-E294 HydrophobicContact CG-CB 4.49Å; Q292-E294 WeakPolarHBondContact CG-OE2 3.44Å; E294-T296 PolarHBondContact O-N 2.84Å
295	T	75.9	Confident	72.2	Confident	49 Å²	49	51 Å²	51	30%	0.301	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-61.5	116.4	178.1	-47.6	0	0	0	0	111.2	E299	T295-E299 HydrophobicContact CG2-CB 3.72Å
296	T	86.2	Confident	72.5	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-69.3	164.7	169.6	55.3	0	0	0	0	111.7	K282 E294 E298 E299 Y300	K282-T296 HydrophobicContact CB-CG2 4.45Å; K282-T296 HydrophobicContact CD-CG2 3.74Å; K282-T296 HydrophobicContact CG-CG2 3.63Å; E294-T296 PolarHBondContact O-N 2.84Å; T296-E298 PolarHBondContact O-N 2.89Å; T296-E299 WeakPolarHBondContact CB-OE2 3.43Å; T296-E299 PolarHBondContact N-OE2 3.2Å; T296-E299 PolarHBondContact O-N 3.4Å; T296-E299 WeakPolarHBondContact OG1-CB 3.48Å; T296-E299 VanDerWaalsContact OG1-CG 3.28Å; T296-E299 WeakPolarHBondContact OG1-CG 3.08Å; T296-E299 PolarHBondContact OG1-N 3.4Å; T296-E299 PolarHBondContact OG1-OE2 2.9Å; T296-Y300 WeakPolarHBondContact O-CB 2.95Å; T296-Y300 PolarHBondContact O-N 2.84Å
297	A	88.8	Confident	72.6	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.008	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-42.9	174.1	0	0	0	0	0	110.5	P239 F279 Y300 F301 M322	P239-A297 HydrophobicContact CG-CB 4.27Å; F279-A297 HydrophobicContact CB-CB 3.87Å; F279-A297 HydrophobicContact CD1-CB 4.41Å; F279-A297 HydrophobicContact CD2-CB 3.65Å; F279-A297 HydrophobicContact CE2-CB 4.3Å; F279-A297 HydrophobicContact CG-CB 3.71Å; A297-Y300 PolarHBondContact O-N 3.1Å; A297-F301 WeakPolarHBondContact O-CD2 3.43Å; A297-F301 PolarHBondContact O-N 3.28Å; A297-M322 HydrophobicContact CB-CE 4.11Å
298	E	87.5	Confident	72.5	Confident	53 Å²	53	51.8 Å²	51.8	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-60.7	-44.4	177.4	-66.4	83.7	176.8	0	0	112.6	T296 H302 L318 M322	T296-E298 PolarHBondContact O-N 2.89Å; E298-H302 WeakPolarHBondContact O-CB 3.45Å; E298-H302 PolarHBondContact O-N 3.34Å; E298-L318 WeakPolarHBondContact O-CD2 3.23Å; E298-M322 HydrophobicContact CG-CB 4.06Å; E298-M322 HydrophobicContact CG-CG 4.08Å
299	E	86.5	Confident	72.3	Confident	72 Å²	72	51 Å²	51	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-41.2	177.6	-76	155.5	171.2	0	0	112.1	K282 T295 T296 H302 S303	K282-E299 WeakPolarHBondContact CE-OE1 3.33Å; K282-E299 IonicContact NZ-OE1 3.54Å; K282-E299 PolarHBondContact NZ-OE1 2.79Å; K282-E299 IonicContact NZ-OE2 3.64Å; T295-E299 HydrophobicContact CG2-CB 3.72Å; T296-E299 WeakPolarHBondContact CB-OE2 3.43Å; T296-E299 PolarHBondContact N-OE2 3.2Å; T296-E299 PolarHBondContact O-N 3.4Å; T296-E299 WeakPolarHBondContact OG1-CB 3.48Å; T296-E299 VanDerWaalsContact OG1-CG 3.28Å; T296-E299 WeakPolarHBondContact OG1-CG 3.08Å; T296-E299 PolarHBondContact OG1-N 3.4Å; T296-E299 PolarHBondContact OG1-OE2 2.9Å; E299-H302 PolarHBondContact O-N 3.11Å; E299-S303 PolarHBondContact O-N 2.77Å
300	Y	89	Confident	72.5	Confident	1 Å²	1	50 Å²	50	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-50.5	177.2	178.6	-95.8	0	0	0	111.4	F279 T296 A297 H302 S303 L304 N369 H370 L371 Y373	F279-Y300 VanDerWaalsContact CE1-CB 3.47Å; F279-Y300 AromaticContact CE1-CD1 3.83Å; F279-Y300 HydrophobicContact CE1-CD1 3.83Å; F279-Y300 HydrophobicContact CE1-CD2 4.13Å; F279-Y300 AromaticContact CE1-CG 3.5Å; F279-Y300 HydrophobicContact CE1-CG 3.5Å; F279-Y300 AromaticContact CZ-CD1 3.66Å; F279-Y300 HydrophobicContact CZ-CD1 3.66Å; F279-Y300 HydrophobicContact CZ-CE1 4.31Å; F279-Y300 AromaticContact CZ-CG 3.86Å; F279-Y300 HydrophobicContact CZ-CG 3.86Å; T296-Y300 WeakPolarHBondContact O-CB 2.95Å; T296-Y300 PolarHBondContact O-N 2.84Å; A297-Y300 PolarHBondContact O-N 3.1Å; Y300-H302 VanDerWaalsContact C-N 3.28Å; Y300-H302 PolarHBondContact O-N 3.1Å; Y300-S303 PolarHBondContact O-N 3.39Å; Y300-S303 PolarHBondContact O-OG 2.98Å; Y300-L304 HydrophobicContact CD1-CD1 4.43Å; Y300-L304 HydrophobicContact CE1-CD1 3.73Å; Y300-L304 HydrophobicContact CE1-CG 4.42Å; Y300-N369 PolarHBondContact OH-OD1 3.45Å; Y300-H370 AromaticContact CD2-CE1 3.62Å; Y300-H370 AromaticContact CE2-CE1 3.37Å; Y300-H370 WeakPolarHBondContact CE2-CE1 3.37Å; Y300-H370 AromaticContact CE2-ND1 3.76Å; Y300-H370 AromaticContact CE2-NE2 3.82Å; Y300-L371 HydrophobicContact CD1-CD1 4.37Å; Y300-L371 HydrophobicContact CD2-CD1 4.09Å; Y300-L371 HydrophobicContact CE1-CD1 3.96Å; Y300-L371 HydrophobicContact CE2-CB 4.42Å; Y300-L371 HydrophobicContact CE2-CD1 3.66Å; Y300-L371 HydrophobicContact CE2-CG 3.85Å; Y300-L371 HydrophobicContact CG-CD1 4.43Å; Y300-L371 WeakPolarHBondContact OH-CB 3.44Å; Y300-Y373 HydrophobicContact CD1-CE2 4.37Å; Y300-Y373 AromaticContact CE1-CD2 3.52Å; Y300-Y373 HydrophobicContact CE1-CD2 3.52Å; Y300-Y373 AromaticContact CE1-CE2 3.55Å; Y300-Y373 HydrophobicContact CE1-CE2 3.55Å; Y300-Y373 AromaticContact CZ-CD2 3.86Å; Y300-Y373 WeakPolarHBondContact OH-CD2 3.43Å
301	F	89.8	Confident	73	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-68.4	-30.3	178.4	-73.2	-65	0	0	0	112.2	P239 L241 M252 F279 A297 L304 L305 M322 L359 M362 Y373	P239-F301 HydrophobicContact CB-CE2 4.35Å; P239-F301 HydrophobicContact CG-CE2 3.54Å; P239-F301 HydrophobicContact CG-CZ 4.14Å; L241-F301 HydrophobicContact CD1-CE1 3.96Å; L241-F301 HydrophobicContact CD1-CE2 4.14Å; L241-F301 HydrophobicContact CD1-CZ 3.55Å; M252-F301 HydrophobicContact CE-CE1 3.89Å; M252-F301 HydrophobicContact SD-CE1 3.71Å; M252-F301 HydrophobicContact SD-CZ 4.3Å; F279-F301 HydrophobicContact CE2-CE2 4.34Å; A297-F301 WeakPolarHBondContact O-CD2 3.43Å; A297-F301 PolarHBondContact O-N 3.28Å; F301-L304 HydrophobicContact CD1-CD1 4.15Å; F301-L304 PolarHBondContact O-N 3.38Å; F301-L305 WeakPolarHBondContact O-CG 3.41Å; F301-M322 HydrophobicContact CD2-SD 4.39Å; F301-L359 HydrophobicContact CB-CD2 3.81Å; F301-L359 HydrophobicContact CD1-CD2 4.28Å; F301-L359 HydrophobicContact CG-CD2 4.07Å; F301-M362 HydrophobicContact CD1-SD 3.69Å; F301-M362 HydrophobicContact CE1-SD 4.4Å; F301-Y373 HydrophobicContact CZ-CE2 4.39Å
302	H	88.1	Confident	73.5	Confident	25 Å²	25	56.9 Å²	56.9	12%	0.116	32%	0.317	C	S	.	.	H	α-helix	trans	-62	-41.7	174.2	-174.9	-85.9	0	0	0	112.3	E298 E299 Y300 L304 L305 E306 R315 L318	E298-H302 WeakPolarHBondContact O-CB 3.45Å; E298-H302 PolarHBondContact O-N 3.34Å; E299-H302 PolarHBondContact O-N 3.11Å; Y300-H302 VanDerWaalsContact C-N 3.28Å; Y300-H302 PolarHBondContact O-N 3.1Å; H302-L304 PolarHBondContact O-N 3.1Å; H302-L305 WeakPolarHBondContact O-CB 3.48Å; H302-L305 PolarHBondContact O-N 3.48Å; H302-E306 IonicContact CE1-OE1 2.7Å; H302-E306 PolarHBondContact CE1-OE1 3.14Å; H302-E306 IonicContact ND1-OE1 2.81Å; H302-R315 WeakPolarHBondContact CD2-CG 3.43Å; H302-R315 WeakPolarHBondContact NE2-CG 3.43Å; H302-L318 HydrophobicContact CB-CD2 3.56Å
303	S	86.6	Confident	74.7	Confident	29 Å²	29	55.7 Å²	55.7	20%	0.203	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-26.6	179.2	70.9	0	0	0	0	112.3	E299 Y300 L305	E299-S303 PolarHBondContact O-N 2.77Å; Y300-S303 PolarHBondContact O-N 3.39Å; Y300-S303 PolarHBondContact O-OG 2.98Å; S303-L305 VanDerWaalsContact C-N 3.27Å; S303-L305 PolarHBondContact O-N 3.19Å
304	L	88.2	Confident	75.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.7	173.8	-54.2	-176.5	0	0	0	114.2	Y300 F301 H302 M362 N363 L364 E368 N369	Y300-L304 HydrophobicContact CD1-CD1 4.43Å; Y300-L304 HydrophobicContact CE1-CD1 3.73Å; Y300-L304 HydrophobicContact CE1-CG 4.42Å; F301-L304 HydrophobicContact CD1-CD1 4.15Å; F301-L304 PolarHBondContact O-N 3.38Å; H302-L304 PolarHBondContact O-N 3.1Å; L304-M362 HydrophobicContact CB-CB 4.15Å; L304-M362 HydrophobicContact CB-CG 4.28Å; L304-M362 HydrophobicContact CD1-SD 4.49Å; L304-N363 PolarHBondContact O-N 2.77Å; L304-L364 HydrophobicContact CD1-CD2 4.02Å; L304-E368 HydrophobicContact CD2-CB 4.19Å; L304-N369 HydrophobicContact CD2-CB 3.69Å
305	L	83.6	Confident	76.2	Confident	19 Å²	19	60.2 Å²	60.2	10%	0.099	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-12.8	178.2	-59.2	177.7	0	0	0	113.3	F301 H302 S303 S307 C313 L318 C358 M362	F301-L305 WeakPolarHBondContact O-CG 3.41Å; H302-L305 WeakPolarHBondContact O-CB 3.48Å; H302-L305 PolarHBondContact O-N 3.48Å; S303-L305 VanDerWaalsContact C-N 3.27Å; S303-L305 PolarHBondContact O-N 3.19Å; L305-S307 PolarHBondContact O-N 3.4Å; L305-C313 HydrophobicContact CD1-CB 4.03Å; L305-L318 HydrophobicContact CD1-CB 4.45Å; L305-L318 HydrophobicContact CD1-CD1 4.07Å; L305-L318 HydrophobicContact CD1-CD2 3.88Å; L305-L318 HydrophobicContact CD1-CG 4.35Å; L305-C358 HydrophobicContact CD1-CB 3.92Å; L305-C358 HydrophobicContact CD2-CB 4.43Å; L305-C358 WeakPolarHBondContact CD2-O 3.25Å; L305-M362 HydrophobicContact CD2-CG 3.56Å
306	E	66.8	Low	76.7	Confident	128 Å²	128	64.7 Å²	64.7	60%	0.598	34%	0.344	S	S	*	.			trans	-72.9	66.1	178.4	-65.4	-175	-169.4	0	0	109.8	H302	H302-E306 IonicContact CE1-OE1 2.7Å; H302-E306 PolarHBondContact CE1-OE1 3.14Å; H302-E306 IonicContact ND1-OE1 2.81Å
307	S	56.5	Low	76.8	Confident	33 Å²	33	68.6 Å²	68.6	23%	0.231	36%	0.361	C	S	.	.			trans	-89.7	146	179.5	79.3	0	0	0	0	110.8	L305 S309	L305-S307 PolarHBondContact O-N 3.4Å; S307-S309 PolarHBondContact O-N 3.28Å; S307-S309 PolarHBondContact OG-OG 3.4Å
308	S	52.1	Low	76.7	Confident	132 Å²	132	68.7 Å²	68.7	92%	0.923	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-3.7	174	46.4	0	0	0	0	115.2
309	S	51.8	Low	76.7	Confident	87 Å²	87	67.7 Å²	67.7	61%	0.608	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	1.8	-172.1	70.1	0	0	0	0	115.3	S307 W311	S307-S309 PolarHBondContact O-N 3.28Å; S307-S309 PolarHBondContact OG-OG 3.4Å; S309-W311 PolarHBondContact O-N 3.21Å; S309-W311 VanDerWaalsContact O-N 3.11Å
310	G	56	Low	76.7	Confident	63 Å²	63	67.5 Å²	67.5	65%	0.649	36%	0.363	S	S	*	.			trans	74.7	-7.2	176.2	0	0	0	0	0	115.5	K312	G310-K312 PolarHBondContact O-N 3.19Å; G310-K312 VanDerWaalsContact O-N 3.14Å
311	W	58.2	Low	76.5	Confident	121 Å²	121	69 Å²	69	46%	0.458	37%	0.37	S	S	.	.			trans	-74	101.5	171.6	-169.8	59.7	0	0	0	110.5	S309 C313	S309-W311 PolarHBondContact O-N 3.21Å; S309-W311 VanDerWaalsContact O-N 3.11Å; W311-C313 PolarHBondContact O-N 3.23Å
312	K	65.2	Low	76.3	Confident	197 Å²	197	69 Å²	69	86%	0.857	37%	0.37	S	S	*	.			trans	-91.9	93.5	178	-68.8	-177.1	178.6	-179.3	0	110	G310 S314	G310-K312 PolarHBondContact O-N 3.19Å; G310-K312 VanDerWaalsContact O-N 3.14Å; K312-S314 PolarHBondContact O-N 3.21Å
313	C	79.6	Confident	75.9	Confident	15 Å²	15	74.4 Å²	74.4	10%	0.101	39%	0.394	C	S	.	.			trans	-63.1	127.4	159.9	175.5	0	0	0	0	108.8	L305 W311 C358	L305-C313 HydrophobicContact CD1-CB 4.03Å; W311-C313 PolarHBondContact O-N 3.23Å; C313-C358 HydrophobicContact CB-CB 3.65Å; C313-C358 WeakPolarHBondContact CB-SG 3.44Å; C313-C358 WeakPolarHBondContact SG-CB 3.37Å; C313-C358 CovalentContact SG-SG 2.01Å; C313-C358 PolarHBondContact SG-SG 3.18Å
314	S	83	Confident	75.1	Confident	64 Å²	64	78.5 Å²	78.5	45%	0.448	42%	0.417	S	S	.	.			trans	-71.5	147.1	175.5	74.8	0	0	0	0	111	K312 E316 K317 L318	K312-S314 PolarHBondContact O-N 3.21Å; S314-E316 PolarHBondContact O-N 3.31Å; S314-E316 VanDerWaalsContact O-N 3.16Å; S314-K317 PolarHBondContact O-N 2.96Å; S314-K317 WeakPolarHBondContact OG-CB 3.32Å; S314-K317 PolarHBondContact OG-N 2.89Å; S314-K317 VanDerWaalsContact OG-N 3.08Å; S314-L318 PolarHBondContact O-N 2.71Å
315	R	81.7	Confident	74.7	Confident	174 Å²	174	80.5 Å²	80.5	66%	0.657	43%	0.426	S	S	*	.	H	α-helix	trans	-51.6	-37.3	172.4	-78	-175.6	176.3	-169.9	0.3	112.3	H302 A319	H302-R315 WeakPolarHBondContact CD2-CG 3.43Å; H302-R315 WeakPolarHBondContact NE2-CG 3.43Å; R315-A319 VanDerWaalsContact O-CB 3.28Å; R315-A319 WeakPolarHBondContact O-CB 3.35Å; R315-A319 PolarHBondContact O-N 2.66Å
316	E	85.5	Confident	74.5	Confident	143 Å²	143	87.7 Å²	87.7	67%	0.668	45%	0.452	S	S	*	.	H	α-helix	trans	-67	-44.7	178.5	-172.3	-178.6	-179.4	0	0	112.3	S314 A319 N320	S314-E316 PolarHBondContact O-N 3.31Å; S314-E316 VanDerWaalsContact O-N 3.16Å; E316-A319 PolarHBondContact O-N 3.23Å; E316-N320 PolarHBondContact O-N 3.43Å; E316-N320 PolarHBondContact O-ND2 3.15Å
317	K	87.4	Confident	75.4	Confident	83 Å²	83	87.6 Å²	87.6	36%	0.361	45%	0.45	S	S	.	.	H	α-helix	trans	-60.1	-48.5	176.6	-174.8	179.1	174.9	-163.4	0	110.4	S314 A319 N320 E321 D356 C358	S314-K317 PolarHBondContact O-N 2.96Å; S314-K317 WeakPolarHBondContact OG-CB 3.32Å; S314-K317 PolarHBondContact OG-N 2.89Å; S314-K317 VanDerWaalsContact OG-N 3.08Å; K317-A319 PolarHBondContact O-N 3.48Å; K317-N320 PolarHBondContact O-N 2.87Å; K317-E321 WeakPolarHBondContact CE-OE1 3.47Å; K317-E321 IonicContact NZ-OE1 3.89Å; K317-E321 WeakPolarHBondContact O-CG 3.2Å; K317-E321 PolarHBondContact O-N 2.77Å; K317-D356 PolarHBondContact NZ-O 2.99Å; K317-D356 VanDerWaalsContact NZ-O 3.14Å; K317-C358 VanDerWaalsContact CD-SG 3.59Å
318	L	88.2	Confident	76.8	Confident	2 Å²	2	86.3 Å²	86.3	1%	0.01	44%	0.44	C	S	.	.	H	α-helix	trans	-57.9	-47.7	175.4	177.4	64.9	0	0	0	112	E298 H302 L305 S314 N320 E321 M322 C358 L359	E298-L318 WeakPolarHBondContact O-CD2 3.23Å; H302-L318 HydrophobicContact CB-CD2 3.56Å; L305-L318 HydrophobicContact CD1-CB 4.45Å; L305-L318 HydrophobicContact CD1-CD1 4.07Å; L305-L318 HydrophobicContact CD1-CD2 3.88Å; L305-L318 HydrophobicContact CD1-CG 4.35Å; S314-L318 PolarHBondContact O-N 2.71Å; L318-N320 PolarHBondContact O-N 3.39Å; L318-E321 PolarHBondContact O-N 2.89Å; L318-M322 HydrophobicContact CD1-CG 4.14Å; L318-M322 HydrophobicContact CG-CG 4.31Å; L318-M322 WeakPolarHBondContact O-CB 3.37Å; L318-M322 VanDerWaalsContact O-CG 3.27Å; L318-M322 WeakPolarHBondContact O-CG 3.42Å; L318-M322 PolarHBondContact O-N 3.38Å; L318-C358 HydrophobicContact CD1-CB 4.39Å; L318-L359 HydrophobicContact CD1-CD1 4.25Å; L318-L359 HydrophobicContact CD1-CD2 3.58Å; L318-L359 HydrophobicContact CD1-CG 3.78Å
319	A	86.3	Confident	78.5	Confident	32 Å²	32	80.6 Å²	80.6	26%	0.264	40%	0.398	S	S	.	.	H	α-helix	trans	-60.1	-35.7	179.4	0	0	0	0	0	112	R315 E316 K317 K323	R315-A319 VanDerWaalsContact O-CB 3.28Å; R315-A319 WeakPolarHBondContact O-CB 3.35Å; R315-A319 PolarHBondContact O-N 2.66Å; E316-A319 PolarHBondContact O-N 3.23Å; K317-A319 PolarHBondContact O-N 3.48Å; A319-K323 VanDerWaalsContact O-CG 3.3Å; A319-K323 WeakPolarHBondContact O-CG 3.34Å; A319-K323 PolarHBondContact O-N 2.7Å; A319-K323 VanDerWaalsContact O-N 3.13Å
320	N	86.3	Confident	80.3	Confident	69 Å²	69	80.7 Å²	80.7	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-71.9	-41	175.7	-71.5	-23	0	0	0	112.2	E316 K317 L318 M322 K323 T324	E316-N320 PolarHBondContact O-N 3.43Å; E316-N320 PolarHBondContact O-ND2 3.15Å; K317-N320 PolarHBondContact O-N 2.87Å; L318-N320 PolarHBondContact O-N 3.39Å; N320-M322 VanDerWaalsContact C-N 3.31Å; N320-M322 PolarHBondContact O-N 3.05Å; N320-K323 WeakPolarHBondContact O-CB 3.42Å; N320-K323 PolarHBondContact O-N 3.07Å; N320-K323 PolarHBondContact OD1-NZ 3.49Å; N320-T324 PolarHBondContact O-N 3.43Å; N320-T324 PolarHBondContact O-OG1 3.42Å
321	E	86.8	Confident	81.9	Confident	32 Å²	32	80.5 Å²	80.5	15%	0.15	38%	0.381	C	S	.	.	H	α-helix	trans	-60	-41.4	172.1	-70.1	179.7	-169	0	0	111.7	K317 L318 K323 T324 S357 C358	K317-E321 WeakPolarHBondContact CE-OE1 3.47Å; K317-E321 IonicContact NZ-OE1 3.89Å; K317-E321 WeakPolarHBondContact O-CG 3.2Å; K317-E321 PolarHBondContact O-N 2.77Å; L318-E321 PolarHBondContact O-N 2.89Å; E321-K323 PolarHBondContact O-N 3.39Å; E321-T324 PolarHBondContact O-N 3.4Å; E321-T324 VanDerWaalsContact O-N 3.15Å; E321-S357 WeakPolarHBondContact OE1-CA 3.44Å; E321-S357 WeakPolarHBondContact OE2-CB 3.15Å; E321-S357 PolarHBondContact OE2-OG 2.96Å; E321-C358 PolarHBondContact OE1-N 3.28Å; E321-C358 VanDerWaalsContact OE1-N 3.1Å; E321-C358 WeakPolarHBondContact OE2-CB 3.49Å; E321-C358 PolarHBondContact OE2-N 3.07Å
322	M	84.9	Confident	83.4	Confident	0 Å²	0	76.2 Å²	76.2	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-67.1	-18.6	174.9	-71.1	-69.9	-49.8	0	0	113.8	P239 A297 E298 F301 L318 N320 K325 Y349 I351 L359	P239-M322 HydrophobicContact CB-CE 4.4Å; A297-M322 HydrophobicContact CB-CE 4.11Å; E298-M322 HydrophobicContact CG-CB 4.06Å; E298-M322 HydrophobicContact CG-CG 4.08Å; F301-M322 HydrophobicContact CD2-SD 4.39Å; L318-M322 HydrophobicContact CD1-CG 4.14Å; L318-M322 HydrophobicContact CG-CG 4.31Å; L318-M322 WeakPolarHBondContact O-CB 3.37Å; L318-M322 VanDerWaalsContact O-CG 3.27Å; L318-M322 WeakPolarHBondContact O-CG 3.42Å; L318-M322 PolarHBondContact O-N 3.38Å; N320-M322 VanDerWaalsContact C-N 3.31Å; N320-M322 PolarHBondContact O-N 3.05Å; M322-K325 VanDerWaalsContact O-CD 3.29Å; M322-K325 WeakPolarHBondContact O-CD 3.33Å; M322-K325 WeakPolarHBondContact O-CE 3.23Å; M322-K325 PolarHBondContact O-NZ 3.3Å; M322-Y349 HydrophobicContact CE-CE2 4.01Å; M322-Y349 VanDerWaalsContact CE-OH 3.22Å; M322-Y349 WeakPolarHBondContact CE-OH 3.46Å; M322-I351 HydrophobicContact CE-CD1 3.79Å; M322-I351 HydrophobicContact CG-CD1 4.49Å; M322-I351 HydrophobicContact SD-CD1 3.36Å; M322-I351 WeakPolarHBondContact SD-CD1 3.5Å; M322-L359 HydrophobicContact SD-CD1 3.97Å
323	K	79.1	Confident	84.5	Confident	139 Å²	139	66.9 Å²	66.9	60%	0.604	33%	0.325	S	S	*	.	H	α-helix	trans	-83.1	-28.8	171.8	-74.4	169.8	-165.6	162.7	0	112.5	A319 N320 E321 K325	A319-K323 VanDerWaalsContact O-CG 3.3Å; A319-K323 WeakPolarHBondContact O-CG 3.34Å; A319-K323 PolarHBondContact O-N 2.7Å; A319-K323 VanDerWaalsContact O-N 3.13Å; N320-K323 WeakPolarHBondContact O-CB 3.42Å; N320-K323 PolarHBondContact O-N 3.07Å; N320-K323 PolarHBondContact OD1-NZ 3.49Å; E321-K323 PolarHBondContact O-N 3.39Å; K323-K325 PolarHBondContact O-N 3.39Å
324	T	70.5	Confident	84.7	Confident	115 Å²	115	68 Å²	68	71%	0.706	33%	0.332	S	S	*	.	S	Bend	trans	-76.2	59.7	179.2	-45.5	0	0	0	0	111.1	N320 E321	N320-T324 PolarHBondContact O-N 3.43Å; N320-T324 PolarHBondContact O-OG1 3.42Å; E321-T324 PolarHBondContact O-N 3.4Å; E321-T324 VanDerWaalsContact O-N 3.15Å
325	K	78.3	Confident	84.7	Confident	43 Å²	43	66.7 Å²	66.7	19%	0.187	32%	0.319	C	S	.	.			trans	-116	136.5	-169.7	62.4	-175.1	145.4	-147.1	0	112.8	M322 K323 K327 Y349 I351	M322-K325 VanDerWaalsContact O-CD 3.29Å; M322-K325 WeakPolarHBondContact O-CD 3.33Å; M322-K325 WeakPolarHBondContact O-CE 3.23Å; M322-K325 PolarHBondContact O-NZ 3.3Å; K323-K325 PolarHBondContact O-N 3.39Å; K325-K327 PolarHBondContact O-N 2.92Å; K325-Y349 HydrophobicContact CB-CD2 3.57Å; K325-Y349 HydrophobicContact CB-CE2 4.32Å; K325-Y349 HydrophobicContact CB-CG 4.03Å; K325-Y349 HydrophobicContact CD-CD1 3.75Å; K325-Y349 HydrophobicContact CD-CD2 3.31Å; K325-Y349 HydrophobicContact CD-CE1 4Å; K325-Y349 HydrophobicContact CD-CE2 3.57Å; K325-Y349 HydrophobicContact CD-CG 3.38Å; K325-Y349 HydrophobicContact CG-CD2 4.01Å; K325-Y349 HydrophobicContact CG-CG 4.11Å; K325-I351 HydrophobicContact CB-CG1 4.2Å
326	R	81.2	Confident	84.6	Confident	169 Å²	169	62.3 Å²	62.3	64%	0.638	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	105.8	167.6	-177.1	178.7	177	178.4	0	108.8	I328 Y349 I350	R326-I328 HydrophobicContact CG-CG2 4.28Å; R326-I328 PolarHBondContact O-N 2.94Å; R326-Y349 CarbonylContact O-C 3.52Å; R326-Y349 VanDerWaalsContact O-CA 3.24Å; R326-Y349 WeakPolarHBondContact O-CA 3.32Å; R326-Y349 WeakPolarHBondContact O-CB 3.33Å; R326-I350 PolarHBondContact N-O 3.08Å; R326-I350 PolarHBondContact O-N 2.92Å
327	K	85.2	Confident	84.5	Confident	127 Å²	127	60.2 Å²	60.2	55%	0.552	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.7	172.2	-65.7	176.2	-69.8	-179.2	0	109.4	K325 K347	K325-K327 PolarHBondContact O-N 2.92Å; K327-K347 VanDerWaalsContact CD-CE 3.43Å
328	I	85.9	Confident	84.5	Confident	6 Å²	6	56.2 Å²	56.2	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-25.1	177.9	62.6	169.4	0	0	0	112.3	I240 R326 V348 I350 L386 V390 I402 S406	I240-I328 HydrophobicContact CD1-CD1 4.16Å; R326-I328 HydrophobicContact CG-CG2 4.28Å; R326-I328 PolarHBondContact O-N 2.94Å; I328-V348 HydrophobicContact CD1-CB 4.32Å; I328-V348 HydrophobicContact CD1-CG1 3.78Å; I328-V348 HydrophobicContact CG1-CB 3.93Å; I328-V348 HydrophobicContact CG1-CG1 3.9Å; I328-V348 WeakPolarHBondContact CG1-O 3.28Å; I328-V348 PolarHBondContact N-O 3.32Å; I328-I350 HydrophobicContact CD1-CD1 4.22Å; I328-I350 HydrophobicContact CD1-CG1 4.21Å; I328-I350 HydrophobicContact CG2-CD1 4.09Å; I328-I350 HydrophobicContact CG2-CG1 4.38Å; I328-L386 HydrophobicContact CB-CD1 4.45Å; I328-L386 HydrophobicContact CD1-CD1 3.98Å; I328-L386 HydrophobicContact CG2-CD1 3.86Å; I328-L386 HydrophobicContact CG2-CD2 4.22Å; I328-V390 HydrophobicContact CD1-CG2 3.77Å; I328-I402 HydrophobicContact CD1-CG2 4.2Å; I328-S406 WeakPolarHBondContact O-CA 3.44Å; I328-S406 WeakPolarHBondContact O-CB 3.43Å
329	F	87.9	Confident	84.6	Confident	11 Å²	11	56.1 Å²	56.1	5%	0.048	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	146.9	177.2	-172.3	-101.3	0	0	0	110.5	S331 Y332 L333 A346 K347 V348 V401 I402	F329-S331 WeakPolarHBondContact CE1-O 3.46Å; F329-Y332 WeakPolarHBondContact CE1-O 3.49Å; F329-Y332 VanDerWaalsContact CZ-O 3.23Å; F329-Y332 WeakPolarHBondContact CZ-O 3.42Å; F329-L333 HydrophobicContact CE1-CB 4.22Å; F329-L333 HydrophobicContact CE1-CD1 4.35Å; F329-A346 WeakPolarHBondContact CD1-O 3.22Å; F329-K347 CarbonylContact O-C 3.59Å; F329-K347 VanDerWaalsContact O-CA 3.26Å; F329-K347 WeakPolarHBondContact O-CA 3.22Å; F329-V348 HydrophobicContact CB-CB 3.87Å; F329-V348 HydrophobicContact CB-CG2 3.92Å; F329-V348 HydrophobicContact CD1-CG2 4.1Å; F329-V348 HydrophobicContact CG-CG2 4.41Å; F329-V348 PolarHBondContact N-O 3.34Å; F329-V348 PolarHBondContact O-N 2.82Å; F329-V401 HydrophobicContact CE2-CG1 3.94Å; F329-V401 HydrophobicContact CZ-CG1 3.84Å; F329-I402 HydrophobicContact CB-CG1 4.42Å; F329-I402 HydrophobicContact CB-CG2 4.15Å; F329-I402 HydrophobicContact CD1-CG1 4.4Å; F329-I402 HydrophobicContact CD2-CB 4.39Å; F329-I402 HydrophobicContact CD2-CG1 4.3Å; F329-I402 HydrophobicContact CG-CG1 4.14Å
330	N	90.2	Very high	84.9	Confident	90 Å²	90	54.7 Å²	54.7	48%	0.481	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	72.1	177.2	-176.8	35.2	0	0	0	109.8	A346 K347	N330-A346 WeakPolarHBondContact CA-O 3.14Å; N330-K347 HydrophobicContact CB-CG 4.38Å
331	S	89.4	Confident	85.2	Confident	59 Å²	59	51.6 Å²	51.6	41%	0.413	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	-174.9	-179	-157.2	0	0	0	0	110.4	F329 L333 K345 A346	F329-S331 WeakPolarHBondContact CE1-O 3.46Å; S331-L333 PolarHBondContact O-N 2.96Å; S331-K345 CarbonylContact O-C 3.58Å; S331-K345 WeakPolarHBondContact O-CA 3.28Å; S331-A346 PolarHBondContact N-O 2.88Å; S331-A346 PolarHBondContact O-N 3.47Å
332	Y	89.7	Confident	85.4	Confident	30 Å²	30	50.1 Å²	50.1	12%	0.118	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	136.1	168.4	175.2	-84.5	0	0	0	111	N215 P216 E217 R218 F329 E338 W343 V344	N215-Y332 WeakPolarHBondContact OD1-CE2 3.14Å; P216-Y332 HydrophobicContact CG-CD2 4.43Å; E217-Y332 HydrophobicContact CB-CD1 4.31Å; E217-Y332 HydrophobicContact CB-CD2 4.37Å; E217-Y332 HydrophobicContact CB-CE1 3.94Å; E217-Y332 HydrophobicContact CB-CE2 4.04Å; E217-Y332 HydrophobicContact CB-CG 4.49Å; E217-Y332 HydrophobicContact CG-CD1 3.45Å; E217-Y332 VanDerWaalsContact CG-CD1 3.45Å; E217-Y332 HydrophobicContact CG-CD2 3.62Å; E217-Y332 HydrophobicContact CG-CE1 3.59Å; E217-Y332 HydrophobicContact CG-CE2 3.79Å; E217-Y332 HydrophobicContact CG-CG 3.43Å; E217-Y332 VanDerWaalsContact CG-CG 3.43Å; R218-Y332 PolarHBondContact NE-OH 3.46Å; R218-Y332 VanDerWaalsContact NE-OH 3.13Å; F329-Y332 WeakPolarHBondContact CE1-O 3.49Å; F329-Y332 VanDerWaalsContact CZ-O 3.23Å; F329-Y332 WeakPolarHBondContact CZ-O 3.42Å; Y332-E338 VanDerWaalsContact CE2-OE1 3.24Å; Y332-E338 WeakPolarHBondContact CE2-OE1 3.33Å; Y332-E338 VanDerWaalsContact CZ-OE1 3.3Å; Y332-E338 VanDerWaalsContact OH-CD 3.23Å; Y332-E338 PolarHBondContact OH-OE1 3.34Å; Y332-E338 PolarHBondContact OH-OE2 3.15Å; Y332-W343 HydrophobicContact CD2-CB 4.32Å; Y332-W343 AromaticContact CD2-CD1 3.74Å; Y332-W343 HydrophobicContact CD2-CG 4.24Å; Y332-W343 HydrophobicContact CE2-CB 3.89Å; Y332-W343 HydrophobicContact CE2-CG 4.23Å; Y332-V344 WeakPolarHBondContact CA-O 3.26Å
333	L	87.5	Confident	85.8	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	25%	0.251	C	S	.	.			trans	-136.6	120.1	171.8	-172.5	69.9	0	0	0	108.7	I238 M278 F329 S331 H335 V344 A346 Q398 I402	I238-L333 HydrophobicContact CD1-CD2 3.71Å; M278-L333 HydrophobicContact CE-CD2 3.78Å; F329-L333 HydrophobicContact CE1-CB 4.22Å; F329-L333 HydrophobicContact CE1-CD1 4.35Å; S331-L333 PolarHBondContact O-N 2.96Å; L333-H335 PolarHBondContact O-N 3.29Å; L333-V344 PolarHBondContact N-O 3.44Å; L333-V344 VanDerWaalsContact N-O 3.1Å; L333-A346 HydrophobicContact CB-CB 3.58Å; L333-A346 HydrophobicContact CD2-CB 3.57Å; L333-A346 HydrophobicContact CG-CB 4.22Å; L333-Q398 HydrophobicContact CD1-CB 4.44Å; L333-Q398 HydrophobicContact CD1-CG 4.27Å; L333-I402 HydrophobicContact CD1-CD1 4.42Å; L333-I402 HydrophobicContact CD1-CG1 4.28Å
334	S	83.3	Confident	86.3	Confident	38 Å²	38	44.9 Å²	44.9	27%	0.266	22%	0.223	S	C	.	.			trans	-55.6	133.2	-178	175.7	0	0	0	0	111.6	R218 Q398	R218-S334 PolarHBondContact NH2-OG 3.02Å; R218-S334 VanDerWaalsContact NH2-OG 3.11Å; S334-Q398 PolarHBondContact O-NE2 3.16Å
335	H	83.3	Confident	87.3	Confident	37 Å²	37	41.9 Å²	41.9	17%	0.171	20%	0.2	C	C	.	.			trans	-127.7	145.2	176.7	-167.3	-87.3	0	0	0	111.3	W228 L333 Y337 E338 V344	W228-H335 HydrophobicContact CH2-CB 3.94Å; W228-H335 AromaticContact CH2-CE1 3.64Å; W228-H335 AromaticContact CH2-CG 3.46Å; W228-H335 VanDerWaalsContact CH2-CG 3.46Å; W228-H335 AromaticContact CH2-ND1 3.18Å; W228-H335 WeakPolarHBondContact CH2-ND1 3.38Å; W228-H335 HydrophobicContact CZ2-CB 4.01Å; W228-H335 AromaticContact CZ2-CG 3.84Å; W228-H335 AromaticContact CZ2-ND1 3.4Å; W228-H335 WeakPolarHBondContact CZ2-ND1 3.2Å; L333-H335 PolarHBondContact O-N 3.29Å; H335-Y337 AromaticContact CE1-CD2 3.47Å; H335-Y337 VanDerWaalsContact CE1-CD2 3.47Å; H335-Y337 WeakPolarHBondContact CE1-CD2 3.32Å; H335-Y337 AromaticContact ND1-CD2 3.9Å; H335-Y337 PolarHBondContact ND1-N 2.87Å; H335-Y337 PolarHBondContact O-N 3.1Å; H335-E338 HydrophobicContact CB-CG 3.82Å; H335-E338 PolarHBondContact N-OE2 2.81Å; H335-E338 VanDerWaalsContact O-CG 3.32Å; H335-E338 WeakPolarHBondContact O-CG 3.01Å; H335-E338 PolarHBondContact O-N 3.12Å; H335-V344 HydrophobicContact CB-CB 4.42Å; H335-V344 HydrophobicContact CB-CG2 3.84Å
336	P	79	Confident	87.9	Confident	81 Å²	81	39.9 Å²	39.9	53%	0.526	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.7	-179.6	-29.3	36.2	0	0	0	114.4	R175	R175-P336 PolarHBondContact NH1-O 2.86Å
337	Y	83.6	Confident	88.4	Confident	99 Å²	99	33.5 Å²	33.5	39%	0.388	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	12.1	-178.2	-56.7	-49.1	0	0	0	115.3	F168 G169 P227 W228 H335	F168-Y337 HydrophobicContact CD2-CD1 4.37Å; F168-Y337 VanDerWaalsContact CE2-CA 3.46Å; F168-Y337 HydrophobicContact CE2-CD1 4.16Å; F168-Y337 WeakPolarHBondContact CE2-O 3.34Å; F168-Y337 HydrophobicContact CZ-CD1 4.4Å; F168-Y337 WeakPolarHBondContact CZ-O 3.49Å; G169-Y337 VanDerWaalsContact CA-CE1 3.41Å; P227-Y337 HydrophobicContact CG-CD2 4.36Å; P227-Y337 HydrophobicContact CG-CG 4.06Å; W228-Y337 PolarHBondContact NE1-O 3.46Å; H335-Y337 AromaticContact CE1-CD2 3.47Å; H335-Y337 VanDerWaalsContact CE1-CD2 3.47Å; H335-Y337 WeakPolarHBondContact CE1-CD2 3.32Å; H335-Y337 AromaticContact ND1-CD2 3.9Å; H335-Y337 PolarHBondContact ND1-N 2.87Å; H335-Y337 PolarHBondContact O-N 3.1Å
338	E	87.4	Confident	88.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.142	C	C	.	.			trans	-64.6	145.5	176.8	-65.3	178.6	139.9	0	0	112.4	R218 T220 W228 Y332 H335 W343 V344	R218-E338 IonicContact CZ-OE2 2.69Å; R218-E338 IonicContact NE-OE2 2.65Å; R218-E338 IonicContact NH2-OE2 2.83Å; R218-E338 PolarHBondContact NH2-OE2 3.08Å; T220-E338 HydrophobicContact CG2-CB 4.1Å; T220-E338 PolarHBondContact OG1-O 3.24Å; W228-E338 HydrophobicContact CZ2-CG 4.27Å; Y332-E338 VanDerWaalsContact CE2-OE1 3.24Å; Y332-E338 WeakPolarHBondContact CE2-OE1 3.33Å; Y332-E338 VanDerWaalsContact CZ-OE1 3.3Å; Y332-E338 VanDerWaalsContact OH-CD 3.23Å; Y332-E338 PolarHBondContact OH-OE1 3.34Å; Y332-E338 PolarHBondContact OH-OE2 3.15Å; H335-E338 HydrophobicContact CB-CG 3.82Å; H335-E338 PolarHBondContact N-OE2 2.81Å; H335-E338 VanDerWaalsContact O-CG 3.32Å; H335-E338 WeakPolarHBondContact O-CG 3.01Å; H335-E338 PolarHBondContact O-N 3.12Å; E338-W343 HydrophobicContact CG-CB 4.36Å; E338-V344 PolarHBondContact OE1-N 3.34Å
339	T	91.1	Very high	88.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.			trans	-114.2	175.4	171.2	70.5	0	0	0	0	109.3	F168 T197 N215 T220 L222 G224 N341 A342	F168-T339 HydrophobicContact CZ-CG2 3.99Å; T197-T339 HydrophobicContact CG2-CG2 3.99Å; N215-T339 PolarHBondContact ND2-O 3.17Å; T220-T339 VanDerWaalsContact OG1-C 3.26Å; T220-T339 VanDerWaalsContact OG1-CA 3.23Å; T220-T339 WeakPolarHBondContact OG1-CA 3.47Å; L222-T339 HydrophobicContact CD2-CG2 4.23Å; L222-T339 CarbonylContact O-C 3.54Å; L222-T339 WeakPolarHBondContact O-CA 3.49Å; L222-T339 WeakPolarHBondContact O-CB 3.33Å; G224-T339 VanDerWaalsContact O-CB 3.23Å; G224-T339 WeakPolarHBondContact O-CB 3.34Å; G224-T339 WeakPolarHBondContact O-CG2 3.38Å; G224-T339 PolarHBondContact O-OG1 3.5Å; T339-N341 PolarHBondContact O-N 3.25Å; T339-N341 PolarHBondContact OG1-N 3.36Å; T339-N341 VanDerWaalsContact OG1-N 3.12Å; T339-A342 PolarHBondContact N-O 3.31Å; T339-A342 PolarHBondContact OG1-N 3.29Å; T339-A342 PolarHBondContact OG1-O 2.68Å
340	D	92.6	Very high	88.8	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.011	14%	0.142	C	C	.	.	S	Bend	trans	-62.8	-18.1	169.4	-73.8	-6.6	0	0	0	112.5	W185 Y192 V214 N215 R219 T220 L222 V223	W185-D340 HydrophobicContact CH2-CB 4.4Å; W185-D340 HydrophobicContact CZ2-CB 4.34Å; Y192-D340 WeakPolarHBondContact CE1-OD2 3.49Å; Y192-D340 VanDerWaalsContact CZ-OD2 3.28Å; Y192-D340 PolarHBondContact OH-OD1 3.33Å; Y192-D340 VanDerWaalsContact OH-OD1 3.08Å; Y192-D340 PolarHBondContact OH-OD2 3Å; V214-D340 CarbonylContact C-O 3.45Å; V214-D340 WeakPolarHBondContact CA-O 3.25Å; N215-D340 WeakPolarHBondContact CB-O 3.38Å; N215-D340 PolarHBondContact N-O 3.27Å; R219-D340 VanDerWaalsContact CA-OD1 3.3Å; R219-D340 WeakPolarHBondContact CA-OD1 3.39Å; T220-D340 PolarHBondContact N-OD1 2.88Å; T220-D340 PolarHBondContact OG1-N 2.98Å; T220-D340 PolarHBondContact OG1-OD1 2.83Å; L222-D340 PolarHBondContact O-N 2.9Å; V223-D340 HydrophobicContact CG1-CB 3.87Å
341	N	92.2	Very high	88.7	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.12	C	C	.	.	S	Bend	trans	-120.9	-6.6	-171.9	-51.7	107.6	0	0	0	114.1	F201 G210 H213 V223 G224 L231 G232 T339	F201-N341 HydrophobicContact CE1-CB 4.4Å; F201-N341 VanDerWaalsContact CE1-OD1 3.32Å; F201-N341 WeakPolarHBondContact CE1-OD1 3.44Å; F201-N341 HydrophobicContact CZ-CB 4.08Å; G210-N341 WeakPolarHBondContact CA-ND2 3.38Å; G210-N341 PolarHBondContact O-ND2 3.23Å; G210-N341 VanDerWaalsContact O-ND2 3.13Å; H213-N341 WeakPolarHBondContact O-CA 3.2Å; H213-N341 PolarHBondContact O-ND2 3.28Å; V223-N341 WeakPolarHBondContact CA-OD1 3.45Å; V223-N341 VanDerWaalsContact CB-OD1 3.3Å; V223-N341 WeakPolarHBondContact CB-OD1 3.49Å; G224-N341 PolarHBondContact N-OD1 3.44Å; L231-N341 HydrophobicContact CD2-CB 3.93Å; G232-N341 WeakPolarHBondContact CA-O 3.44Å; G232-N341 PolarHBondContact N-O 3.19Å; T339-N341 PolarHBondContact O-N 3.25Å; T339-N341 PolarHBondContact OG1-N 3.36Å; T339-N341 VanDerWaalsContact OG1-N 3.12Å
342	A	91.4	Very high	88.6	Confident	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	126.1	-179.9	0	0	0	0	0	110.3	W228 G232 T339	W228-A342 HydrophobicContact CB-CB 3.93Å; W228-A342 HydrophobicContact CG-CB 3.83Å; G232-A342 WeakPolarHBondContact O-CA 3.48Å; T339-A342 PolarHBondContact N-O 3.31Å; T339-A342 PolarHBondContact OG1-N 3.29Å; T339-A342 PolarHBondContact OG1-O 2.68Å
343	W	92.5	Very high	88.5	Confident	29 Å²	29	25.6 Å²	25.6	11%	0.11	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	169.4	-173.5	63.9	91.3	0	0	0	112.3	H213 V214 N215 P216 G232 E233 N234 Y332 E338	H213-W343 HydrophobicContact CB-CZ3 4.43Å; V214-W343 VanDerWaalsContact O-CH2 3.23Å; V214-W343 WeakPolarHBondContact O-CH2 3.36Å; V214-W343 WeakPolarHBondContact O-CZ3 3.11Å; N215-W343 VanDerWaalsContact CA-CE3 3.41Å; N215-W343 HydrophobicContact CB-CD2 4.46Å; N215-W343 HydrophobicContact CB-CE3 3.89Å; N215-W343 HydrophobicContact CB-CZ3 4.38Å; P216-W343 HydrophobicContact CG-CZ2 4.32Å; G232-W343 PolarHBondContact O-N 3.16Å; E233-W343 HydrophobicContact CB-CZ2 4.42Å; N234-W343 WeakPolarHBondContact CB-O 3.44Å; N234-W343 PolarHBondContact N-O 3.47Å; N234-W343 PolarHBondContact ND2-O 2.93Å; Y332-W343 HydrophobicContact CD2-CB 4.32Å; Y332-W343 AromaticContact CD2-CD1 3.74Å; Y332-W343 HydrophobicContact CD2-CG 4.24Å; Y332-W343 HydrophobicContact CE2-CB 3.89Å; Y332-W343 HydrophobicContact CE2-CG 4.23Å; E338-W343 HydrophobicContact CG-CB 4.36Å
344	V	90.5	Very high	88.5	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.3	-177.8	175.8	0	0	0	0	111.3	W228 N234 M236 M278 Y332 L333 H335 E338 A346	W228-V344 HydrophobicContact CE3-CG2 4.36Å; W228-V344 HydrophobicContact CH2-CG2 3.2Å; W228-V344 HydrophobicContact CZ2-CG2 3.79Å; W228-V344 HydrophobicContact CZ3-CG2 3.56Å; N234-V344 WeakPolarHBondContact O-CA 3.48Å; M236-V344 HydrophobicContact CB-CG1 4.12Å; M236-V344 HydrophobicContact CG-CG1 4.08Å; M236-V344 HydrophobicContact SD-CG1 3.87Å; M236-V344 HydrophobicContact SD-CG2 3.93Å; M278-V344 HydrophobicContact SD-CG1 4.27Å; Y332-V344 WeakPolarHBondContact CA-O 3.26Å; L333-V344 PolarHBondContact N-O 3.44Å; L333-V344 VanDerWaalsContact N-O 3.1Å; H335-V344 HydrophobicContact CB-CB 4.42Å; H335-V344 HydrophobicContact CB-CG2 3.84Å; E338-V344 PolarHBondContact OE1-N 3.34Å; V344-A346 HydrophobicContact CG1-CB 4.2Å
345	K	92.2	Very high	88.7	Confident	53 Å²	53	33.4 Å²	33.4	23%	0.23	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	101.8	160.1	-175.3	180	-168.6	169.2	0	109.5	E233 N234 M236 S331	E233-K345 HydrophobicContact CG-CB 3.63Å; E233-K345 HydrophobicContact CG-CD 3.86Å; E233-K345 HydrophobicContact CG-CG 4.49Å; E233-K345 WeakPolarHBondContact OE1-CD 3.32Å; E233-K345 IonicContact OE1-NZ 2.91Å; E233-K345 PolarHBondContact OE1-NZ 2.88Å; E233-K345 WeakPolarHBondContact OE2-CD 3.43Å; E233-K345 IonicContact OE2-NZ 3.32Å; E233-K345 PolarHBondContact OE2-NZ 3.23Å; N234-K345 PolarHBondContact O-N 2.93Å; M236-K345 PolarHBondContact N-O 3.43Å; S331-K345 CarbonylContact O-C 3.58Å; S331-K345 WeakPolarHBondContact O-CA 3.28Å
346	A	91.1	Very high	88.8	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	140	-178.6	0	0	0	0	0	111	M236 I238 F329 N330 S331 L333 V344	M236-A346 CarbonylContact O-C 3.57Å; M236-A346 WeakPolarHBondContact O-CA 3.28Å; I238-A346 HydrophobicContact CD1-CB 3.8Å; I238-A346 HydrophobicContact CG1-CB 4.35Å; F329-A346 WeakPolarHBondContact CD1-O 3.22Å; N330-A346 WeakPolarHBondContact CA-O 3.14Å; S331-A346 PolarHBondContact N-O 2.88Å; S331-A346 PolarHBondContact O-N 3.47Å; L333-A346 HydrophobicContact CB-CB 3.58Å; L333-A346 HydrophobicContact CD2-CB 3.57Å; L333-A346 HydrophobicContact CG-CB 4.22Å; V344-A346 HydrophobicContact CG1-CB 4.2Å
347	K	91	Very high	89.3	Confident	36 Å²	36	33.5 Å²	33.5	16%	0.157	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.7	163.7	-175.7	-174.7	178.7	-173.8	0	108.2	M236 D237 I238 K327 F329 N330 Y349	M236-K347 PolarHBondContact O-N 3.27Å; D237-K347 WeakPolarHBondContact OD1-CD 3.11Å; I238-K347 PolarHBondContact N-O 3.41Å; K327-K347 VanDerWaalsContact CD-CE 3.43Å; F329-K347 CarbonylContact O-C 3.59Å; F329-K347 VanDerWaalsContact O-CA 3.26Å; F329-K347 WeakPolarHBondContact O-CA 3.22Å; N330-K347 HydrophobicContact CB-CG 4.38Å; K347-Y349 HydrophobicContact CG-CD1 4.29Å; K347-Y349 WeakPolarHBondContact O-CD1 3.41Å
348	V	90.1	Very high	89.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.9	176.7	-167.4	0	0	0	0	108.3	I238 I240 I328 F329 F394 I402	I238-V348 HydrophobicContact CB-CG1 4.45Å; I238-V348 HydrophobicContact CB-CG2 4.22Å; I238-V348 HydrophobicContact CD1-CG2 4.19Å; I238-V348 WeakPolarHBondContact O-CA 3.44Å; I240-V348 HydrophobicContact CD1-CG1 3.82Å; I240-V348 HydrophobicContact CG1-CG1 4.18Å; I328-V348 HydrophobicContact CD1-CB 4.32Å; I328-V348 HydrophobicContact CD1-CG1 3.78Å; I328-V348 HydrophobicContact CG1-CB 3.93Å; I328-V348 HydrophobicContact CG1-CG1 3.9Å; I328-V348 WeakPolarHBondContact CG1-O 3.28Å; I328-V348 PolarHBondContact N-O 3.32Å; F329-V348 HydrophobicContact CB-CB 3.87Å; F329-V348 HydrophobicContact CB-CG2 3.92Å; F329-V348 HydrophobicContact CD1-CG2 4.1Å; F329-V348 HydrophobicContact CG-CG2 4.41Å; F329-V348 PolarHBondContact N-O 3.34Å; F329-V348 PolarHBondContact O-N 2.82Å; V348-F394 HydrophobicContact CG1-CE2 3.93Å; V348-F394 HydrophobicContact CG1-CZ 3.75Å; V348-F394 HydrophobicContact CG2-CZ 4.06Å; V348-I402 HydrophobicContact CG2-CD1 4.1Å; V348-I402 HydrophobicContact CG2-CG1 4.37Å
349	Y	89.1	Confident	89.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151.7	179.7	56.9	-93.7	0	0	0	112	D237 I238 P239 I240 M322 K325 R326 K347 I351	D237-Y349 HydrophobicContact CB-CE1 3.77Å; I238-Y349 PolarHBondContact O-N 3.27Å; I238-Y349 VanDerWaalsContact O-N 3.14Å; P239-Y349 HydrophobicContact CB-CD2 4.31Å; P239-Y349 HydrophobicContact CB-CE2 3.55Å; I240-Y349 PolarHBondContact N-O 2.63Å; M322-Y349 HydrophobicContact CE-CE2 4.01Å; M322-Y349 VanDerWaalsContact CE-OH 3.22Å; M322-Y349 WeakPolarHBondContact CE-OH 3.46Å; K325-Y349 HydrophobicContact CB-CD2 3.57Å; K325-Y349 HydrophobicContact CB-CE2 4.32Å; K325-Y349 HydrophobicContact CB-CG 4.03Å; K325-Y349 HydrophobicContact CD-CD1 3.75Å; K325-Y349 HydrophobicContact CD-CD2 3.31Å; K325-Y349 HydrophobicContact CD-CE1 4Å; K325-Y349 HydrophobicContact CD-CE2 3.57Å; K325-Y349 HydrophobicContact CD-CG 3.38Å; K325-Y349 HydrophobicContact CG-CD2 4.01Å; K325-Y349 HydrophobicContact CG-CG 4.11Å; R326-Y349 CarbonylContact O-C 3.52Å; R326-Y349 VanDerWaalsContact O-CA 3.24Å; R326-Y349 WeakPolarHBondContact O-CA 3.32Å; R326-Y349 WeakPolarHBondContact O-CB 3.33Å; K347-Y349 HydrophobicContact CG-CD1 4.29Å; K347-Y349 WeakPolarHBondContact O-CD1 3.41Å; Y349-I351 HydrophobicContact CD2-CD1 4.27Å; Y349-I351 HydrophobicContact CD2-CG1 4.01Å; Y349-I351 HydrophobicContact CE2-CD1 3.82Å; Y349-I351 HydrophobicContact CE2-CG1 4.09Å
350	I	87.6	Confident	89.4	Confident	16 Å²	16	29.5 Å²	29.5	8%	0.082	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.1	179.3	-61.4	171.8	0	0	0	108.9	I240 I242 R326 I328 I352 L386 V389	I240-I350 HydrophobicContact CB-CG1 4.19Å; I240-I350 HydrophobicContact CD1-CG1 4.28Å; I240-I350 CarbonylContact O-C 3.6Å; I240-I350 WeakPolarHBondContact O-CA 3.36Å; I242-I350 HydrophobicContact CD1-CG2 3.69Å; I242-I350 HydrophobicContact CG1-CG2 4.2Å; R326-I350 PolarHBondContact N-O 3.08Å; R326-I350 PolarHBondContact O-N 2.92Å; I328-I350 HydrophobicContact CD1-CD1 4.22Å; I328-I350 HydrophobicContact CD1-CG1 4.21Å; I328-I350 HydrophobicContact CG2-CD1 4.09Å; I328-I350 HydrophobicContact CG2-CG1 4.38Å; I350-I352 HydrophobicContact CG2-CG1 4.45Å; I350-L386 HydrophobicContact CD1-CD1 3.44Å; I350-L386 VanDerWaalsContact CD1-CD1 3.44Å; I350-V389 HydrophobicContact CD1-CG1 4.16Å
351	I	88.4	Confident	89.1	Confident	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.4	168.6	-60.4	176	0	0	0	107.2	I240 I242 M322 K325 Y349 V353 L359	I240-I351 PolarHBondContact O-N 3.41Å; I242-I351 PolarHBondContact N-O 2.88Å; M322-I351 HydrophobicContact CE-CD1 3.79Å; M322-I351 HydrophobicContact CG-CD1 4.49Å; M322-I351 HydrophobicContact SD-CD1 3.36Å; M322-I351 WeakPolarHBondContact SD-CD1 3.5Å; K325-I351 HydrophobicContact CB-CG1 4.2Å; Y349-I351 HydrophobicContact CD2-CD1 4.27Å; Y349-I351 HydrophobicContact CD2-CG1 4.01Å; Y349-I351 HydrophobicContact CE2-CD1 3.82Å; Y349-I351 HydrophobicContact CE2-CG1 4.09Å; I351-V353 HydrophobicContact CG2-CG2 3.93Å; I351-L359 HydrophobicContact CD1-CD1 4.39Å; I351-L359 HydrophobicContact CG2-CD1 4.17Å
352	I	86.9	Confident	88.8	Confident	135 Å²	135	34.7 Å²	34.7	69%	0.692	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.5	168.2	-59	175.2	0	0	0	106	I242 I350 P354	I242-I352 CarbonylContact O-C 3.58Å; I242-I352 WeakPolarHBondContact O-CA 3.26Å; I350-I352 HydrophobicContact CG2-CG1 4.45Å; I352-P354 WeakPolarHBondContact O-CD 3.47Å
353	V	88.9	Confident	88.6	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	101.6	-171.9	179.8	0	0	0	0	108.4	L241 I242 R243 I351 L359 Y360 W375	L241-V353 HydrophobicContact CB-CG2 4.25Å; L241-V353 HydrophobicContact CD2-CG2 4.11Å; I242-V353 PolarHBondContact O-N 2.87Å; R243-V353 HydrophobicContact CB-CB 4Å; R243-V353 HydrophobicContact CB-CG1 4.41Å; I351-V353 HydrophobicContact CG2-CG2 3.93Å; V353-L359 VanDerWaalsContact CG1-C 3.5Å; V353-L359 HydrophobicContact CG1-CB 3.82Å; V353-L359 HydrophobicContact CG2-CB 4.03Å; V353-Y360 HydrophobicContact CG1-CD2 4.09Å; V353-Y360 HydrophobicContact CG1-CG 4.49Å; V353-W375 HydrophobicContact CG2-CH2 4.47Å
354	P	87.1	Confident	88.4	Confident	66 Å²	66	37.5 Å²	37.5	43%	0.429	19%	0.193	S	C	.	.			trans	-71.3	166.4	174.4	33.1	-38.7	0	0	0	111.6	I352 D356 S357 Y360	I352-P354 WeakPolarHBondContact O-CD 3.47Å; P354-D356 VanDerWaalsContact CB-OD1 3.22Å; P354-D356 WeakPolarHBondContact CB-OD1 3.05Å; P354-D356 WeakPolarHBondContact CG-OD1 3.46Å; P354-D356 PolarHBondContact O-N 3.27Å; P354-S357 VanDerWaalsContact O-CB 3.26Å; P354-S357 WeakPolarHBondContact O-CB 3.4Å; P354-S357 PolarHBondContact O-N 2.74Å; P354-S357 VanDerWaalsContact O-N 3.09Å; P354-Y360 WeakPolarHBondContact O-CB 3.4Å; P354-Y360 WeakPolarHBondContact O-CD2 3.18Å
355	E	86.2	Confident	88.2	Confident	137 Å²	137	47 Å²	47	64%	0.64	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-24	-174.5	-52.1	-164.9	162.2	0	0	114	Y360	E355-Y360 VanDerWaalsContact CA-CD2 3.48Å; E355-Y360 HydrophobicContact CB-CD2 4.41Å; E355-Y360 HydrophobicContact CB-CE1 4.4Å; E355-Y360 HydrophobicContact CB-CE2 4.1Å; E355-Y360 HydrophobicContact CG-CD2 4.5Å; E355-Y360 HydrophobicContact CG-CE2 3.77Å
356	D	86.4	Confident	87.9	Confident	116 Å²	116	45 Å²	45	62%	0.62	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-0.9	177.3	66.9	-30.5	0	0	0	114.2	K317 P354	K317-D356 PolarHBondContact NZ-O 2.99Å; K317-D356 VanDerWaalsContact NZ-O 3.14Å; P354-D356 VanDerWaalsContact CB-OD1 3.22Å; P354-D356 WeakPolarHBondContact CB-OD1 3.05Å; P354-D356 WeakPolarHBondContact CG-OD1 3.46Å; P354-D356 PolarHBondContact O-N 3.27Å
357	S	88.7	Confident	87.5	Confident	4 Å²	4	50.5 Å²	50.5	3%	0.028	26%	0.263	C	S	.	.	S	Bend	trans	-74.8	146	178.1	163	0	0	0	0	111.9	E321 P354 L359 Y360	E321-S357 WeakPolarHBondContact OE1-CA 3.44Å; E321-S357 WeakPolarHBondContact OE2-CB 3.15Å; E321-S357 PolarHBondContact OE2-OG 2.96Å; P354-S357 VanDerWaalsContact O-CB 3.26Å; P354-S357 WeakPolarHBondContact O-CB 3.4Å; P354-S357 PolarHBondContact O-N 2.74Å; P354-S357 VanDerWaalsContact O-N 3.09Å; S357-L359 PolarHBondContact O-N 2.72Å; S357-L359 PolarHBondContact OG-N 2.73Å; S357-L359 VanDerWaalsContact OG-N 3.09Å; S357-Y360 VanDerWaalsContact O-CB 3.22Å; S357-Y360 WeakPolarHBondContact O-CB 3.48Å; S357-Y360 PolarHBondContact O-N 2.7Å
358	C	87.4	Confident	87.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-39.3	171.4	-61.5	0	0	0	0	112.5	L305 C313 K317 L318 E321 Y360	L305-C358 HydrophobicContact CD1-CB 3.92Å; L305-C358 HydrophobicContact CD2-CB 4.43Å; L305-C358 WeakPolarHBondContact CD2-O 3.25Å; C313-C358 HydrophobicContact CB-CB 3.65Å; C313-C358 WeakPolarHBondContact CB-SG 3.44Å; C313-C358 WeakPolarHBondContact SG-CB 3.37Å; C313-C358 CovalentContact SG-SG 2.01Å; C313-C358 PolarHBondContact SG-SG 3.18Å; K317-C358 VanDerWaalsContact CD-SG 3.59Å; L318-C358 HydrophobicContact CD1-CB 4.39Å; E321-C358 PolarHBondContact OE1-N 3.28Å; E321-C358 VanDerWaalsContact OE1-N 3.1Å; E321-C358 WeakPolarHBondContact OE2-CB 3.49Å; E321-C358 PolarHBondContact OE2-N 3.07Å; C358-Y360 PolarHBondContact O-N 2.83Å
359	L	88.9	Confident	87.1	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.7	-178.9	-62.8	166.3	0	0	0	112.8	L241 F301 L318 M322 I351 V353 S357 M362	L241-L359 HydrophobicContact CD2-CB 4.07Å; L241-L359 HydrophobicContact CD2-CD1 3.82Å; L241-L359 HydrophobicContact CD2-CD2 4.04Å; L241-L359 HydrophobicContact CD2-CG 4.19Å; F301-L359 HydrophobicContact CB-CD2 3.81Å; F301-L359 HydrophobicContact CD1-CD2 4.28Å; F301-L359 HydrophobicContact CG-CD2 4.07Å; L318-L359 HydrophobicContact CD1-CD1 4.25Å; L318-L359 HydrophobicContact CD1-CD2 3.58Å; L318-L359 HydrophobicContact CD1-CG 3.78Å; M322-L359 HydrophobicContact SD-CD1 3.97Å; I351-L359 HydrophobicContact CD1-CD1 4.39Å; I351-L359 HydrophobicContact CG2-CD1 4.17Å; V353-L359 VanDerWaalsContact CG1-C 3.5Å; V353-L359 HydrophobicContact CG1-CB 3.82Å; V353-L359 HydrophobicContact CG2-CB 4.03Å; S357-L359 PolarHBondContact O-N 2.72Å; S357-L359 PolarHBondContact OG-N 2.73Å; S357-L359 VanDerWaalsContact OG-N 3.09Å; L359-M362 HydrophobicContact CB-CE 4.47Å; L359-M362 HydrophobicContact CB-SD 4.45Å; L359-M362 HydrophobicContact CD2-SD 3.71Å; L359-M362 WeakPolarHBondContact O-CE 3.46Å
360	Y	89.2	Confident	86.7	Confident	15 Å²	15	57.2 Å²	57.2	6%	0.059	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-50.6	-176.3	-165.8	-95.2	0	0	0	111.6	R243 S244 Y245 V353 P354 E355 S357 C358	R243-Y360 HydrophobicContact CB-CD2 4.15Å; R243-Y360 HydrophobicContact CB-CE2 4.1Å; R243-Y360 HydrophobicContact CG-CE2 4.42Å; R243-Y360 PolarHBondContact NH1-O 2.87Å; S244-Y360 VanDerWaalsContact O-CE2 3.26Å; S244-Y360 WeakPolarHBondContact O-CE2 3.36Å; S244-Y360 PolarHBondContact O-OH 2.8Å; Y245-Y360 HydrophobicContact CD2-CE1 4.1Å; Y245-Y360 AromaticContact CD2-CZ 3.97Å; Y245-Y360 WeakPolarHBondContact CD2-OH 3.27Å; V353-Y360 HydrophobicContact CG1-CD2 4.09Å; V353-Y360 HydrophobicContact CG1-CG 4.49Å; P354-Y360 WeakPolarHBondContact O-CB 3.4Å; P354-Y360 WeakPolarHBondContact O-CD2 3.18Å; E355-Y360 VanDerWaalsContact CA-CD2 3.48Å; E355-Y360 HydrophobicContact CB-CD2 4.41Å; E355-Y360 HydrophobicContact CB-CE1 4.4Å; E355-Y360 HydrophobicContact CB-CE2 4.1Å; E355-Y360 HydrophobicContact CG-CD2 4.5Å; E355-Y360 HydrophobicContact CG-CE2 3.77Å; S357-Y360 VanDerWaalsContact O-CB 3.22Å; S357-Y360 WeakPolarHBondContact O-CB 3.48Å; S357-Y360 PolarHBondContact O-N 2.7Å; C358-Y360 PolarHBondContact O-N 2.83Å
361	N	84.5	Confident	86.5	Confident	101 Å²	101	58.6 Å²	58.6	54%	0.54	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	47.1	-173.4	-72.7	-37.6	0	0	0	113.8
362	M	87.1	Confident	86.4	Confident	14 Å²	14	62.2 Å²	62.2	7%	0.069	32%	0.322	C	S	.	.			trans	-61	145.7	176	-69.5	168.3	-60.6	0	0	112.8	M252 F301 L304 L305 L359 L364 W375	M252-M362 HydrophobicContact CE-CE 3.12Å; M252-M362 HydrophobicContact CE-SD 4.24Å; M252-M362 HydrophobicContact SD-CE 4.44Å; F301-M362 HydrophobicContact CD1-SD 3.69Å; F301-M362 HydrophobicContact CE1-SD 4.4Å; L304-M362 HydrophobicContact CB-CB 4.15Å; L304-M362 HydrophobicContact CB-CG 4.28Å; L304-M362 HydrophobicContact CD1-SD 4.49Å; L305-M362 HydrophobicContact CD2-CG 3.56Å; L359-M362 HydrophobicContact CB-CE 4.47Å; L359-M362 HydrophobicContact CB-SD 4.45Å; L359-M362 HydrophobicContact CD2-SD 3.71Å; L359-M362 WeakPolarHBondContact O-CE 3.46Å; M362-L364 HydrophobicContact CB-CD2 4.01Å; M362-L364 HydrophobicContact CB-CG 4.49Å; M362-L364 PolarHBondContact O-N 3.12Å; M362-L364 VanDerWaalsContact O-N 3.07Å; M362-W375 HydrophobicContact CE-CZ2 3.66Å
363	N	87.7	Confident	86.4	Confident	54 Å²	54	56.1 Å²	56.1	29%	0.289	29%	0.29	S	S	.	.			trans	-81.1	82.9	174.5	-175.1	10.5	0	0	0	110.9	L304 K365 A366	L304-N363 PolarHBondContact O-N 2.77Å; N363-K365 PolarHBondContact O-N 3.41Å; N363-K365 VanDerWaalsContact O-N 3.12Å; N363-K365 PolarHBondContact OD1-N 2.88Å; N363-A366 HydrophobicContact CB-CB 4.17Å; N363-A366 WeakPolarHBondContact ND2-CB 3.22Å; N363-A366 VanDerWaalsContact O-CB 3.25Å; N363-A366 WeakPolarHBondContact O-CB 3.35Å; N363-A366 PolarHBondContact O-N 2.94Å; N363-A366 VanDerWaalsContact O-N 3.13Å; N363-A366 PolarHBondContact OD1-N 2.79Å
364	L	88.5	Confident	86.3	Confident	35 Å²	35	59.3 Å²	59.3	18%	0.183	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	1.9	179.4	-56.5	-175.3	0	0	0	114.2	L304 M362 N369 W375	L304-L364 HydrophobicContact CD1-CD2 4.02Å; M362-L364 HydrophobicContact CB-CD2 4.01Å; M362-L364 HydrophobicContact CB-CG 4.49Å; M362-L364 PolarHBondContact O-N 3.12Å; M362-L364 VanDerWaalsContact O-N 3.07Å; L364-N369 PolarHBondContact O-ND2 2.99Å; L364-W375 VanDerWaalsContact CD1-CD1 3.42Å; L364-W375 HydrophobicContact CD1-CG 4.17Å
365	K	86.3	Confident	86.4	Confident	200 Å²	200	58 Å²	58	87%	0.87	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-2	172.2	-63.2	-177	-179.7	-179.8	0	112.5	N363	N363-K365 PolarHBondContact O-N 3.41Å; N363-K365 VanDerWaalsContact O-N 3.12Å; N363-K365 PolarHBondContact OD1-N 2.88Å
366	A	84.7	Confident	86.4	Confident	10 Å²	10	55 Å²	55	8%	0.083	28%	0.276	C	S	.	.	S	Bend	trans	-67.5	146.7	179.3	0	0	0	0	0	110.3	N363 E368 N369	N363-A366 HydrophobicContact CB-CB 4.17Å; N363-A366 WeakPolarHBondContact ND2-CB 3.22Å; N363-A366 VanDerWaalsContact O-CB 3.25Å; N363-A366 WeakPolarHBondContact O-CB 3.35Å; N363-A366 PolarHBondContact O-N 2.94Å; N363-A366 VanDerWaalsContact O-N 3.13Å; N363-A366 PolarHBondContact OD1-N 2.79Å; A366-E368 WeakPolarHBondContact CB-OE2 3.34Å; A366-E368 PolarHBondContact O-N 3.22Å; A366-E368 VanDerWaalsContact O-N 3.16Å; A366-N369 WeakPolarHBondContact O-CB 3.36Å; A366-N369 PolarHBondContact O-N 2.74Å
367	P	83.4	Confident	86.3	Confident	116 Å²	116	52.5 Å²	52.5	75%	0.753	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.1	176.5	24.4	-33	0	0	0	112.8	N369	P367-N369 PolarHBondContact O-N 2.92Å
368	E	85.3	Confident	85.7	Confident	76 Å²	76	54.2 Å²	54.2	36%	0.355	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.9	175.8	-60.3	73.9	-161.2	0	0	112.6	L304 A366 H370	L304-E368 HydrophobicContact CD2-CB 4.19Å; A366-E368 WeakPolarHBondContact CB-OE2 3.34Å; A366-E368 PolarHBondContact O-N 3.22Å; A366-E368 VanDerWaalsContact O-N 3.16Å; E368-H370 PolarHBondContact O-N 3.42Å; E368-H370 PolarHBondContact O-ND1 3.42Å
369	N	86.7	Confident	85	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.059	31%	0.305	C	S	.	.			trans	-75.8	51.3	174.1	-169.3	21.1	0	0	0	112.5	Y300 L304 L364 A366 P367 L371 D372 Y373	Y300-N369 PolarHBondContact OH-OD1 3.45Å; L304-N369 HydrophobicContact CD2-CB 3.69Å; L364-N369 PolarHBondContact O-ND2 2.99Å; A366-N369 WeakPolarHBondContact O-CB 3.36Å; A366-N369 PolarHBondContact O-N 2.74Å; P367-N369 PolarHBondContact O-N 2.92Å; N369-L371 PolarHBondContact O-N 3.39Å; N369-L371 VanDerWaalsContact O-N 3.13Å; N369-D372 PolarHBondContact O-N 2.92Å; N369-Y373 PolarHBondContact ND2-N 3.36Å; N369-Y373 PolarHBondContact ND2-O 2.93Å; N369-Y373 PolarHBondContact OD1-N 3.46Å
370	H	81.2	Confident	84	Confident	90 Å²	90	63.3 Å²	63.3	42%	0.417	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.1	-179.9	62.7	-91.8	0	0	0	114.2	F29 Y300 E368	F29-H370 HydrophobicContact CE1-CB 4.17Å; F29-H370 HydrophobicContact CZ-CB 4.39Å; Y300-H370 AromaticContact CD2-CE1 3.62Å; Y300-H370 AromaticContact CE2-CE1 3.37Å; Y300-H370 WeakPolarHBondContact CE2-CE1 3.37Å; Y300-H370 AromaticContact CE2-ND1 3.76Å; Y300-H370 AromaticContact CE2-NE2 3.82Å; E368-H370 PolarHBondContact O-N 3.42Å; E368-H370 PolarHBondContact O-ND1 3.42Å
371	L	83.3	Confident	82.8	Confident	45 Å²	45	66.1 Å²	66.1	24%	0.236	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.8	172.6	-59	175.4	0	0	0	112.4	I254 A277 F279 Y300 N369 Y373	I254-L371 WeakPolarHBondContact CG2-O 3.28Å; A277-L371 HydrophobicContact CB-CD1 3.58Å; A277-L371 HydrophobicContact CB-CD2 4.48Å; F279-L371 HydrophobicContact CE1-CD1 3.93Å; F279-L371 HydrophobicContact CZ-CD1 3.72Å; Y300-L371 HydrophobicContact CD1-CD1 4.37Å; Y300-L371 HydrophobicContact CD2-CD1 4.09Å; Y300-L371 HydrophobicContact CE1-CD1 3.96Å; Y300-L371 HydrophobicContact CE2-CB 4.42Å; Y300-L371 HydrophobicContact CE2-CD1 3.66Å; Y300-L371 HydrophobicContact CE2-CG 3.85Å; Y300-L371 HydrophobicContact CG-CD1 4.43Å; Y300-L371 WeakPolarHBondContact OH-CB 3.44Å; N369-L371 PolarHBondContact O-N 3.39Å; N369-L371 VanDerWaalsContact O-N 3.13Å; L371-Y373 HydrophobicContact CB-CD2 3.82Å; L371-Y373 HydrophobicContact CB-CE2 3.81Å; L371-Y373 HydrophobicContact CD1-CD2 4.39Å; L371-Y373 HydrophobicContact CD1-CE2 3.68Å; L371-Y373 HydrophobicContact CG-CE2 4.4Å; L371-Y373 PolarHBondContact O-N 2.8Å
372	D	85.2	Confident	81.7	Confident	79 Å²	79	64 Å²	64	42%	0.422	34%	0.335	S	S	.	.			trans	51.8	39.5	178.6	-67.6	-51.2	0	0	0	113.9	K255 N369	K255-D372 HydrophobicContact CB-CB 3.96Å; K255-D372 WeakPolarHBondContact CB-O 3.27Å; K255-D372 PolarHBondContact N-O 2.86Å; N369-D372 PolarHBondContact O-N 2.92Å
373	Y	87.6	Confident	80.8	Confident	7 Å²	7	63.7 Å²	63.7	3%	0.027	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.2	175.9	-82.9	-68.7	0	0	0	111.4	M252 V253 I254 A277 F279 Y300 F301 N369 L371	M252-Y373 HydrophobicContact CG-CD1 3.67Å; M252-Y373 HydrophobicContact CG-CE1 4.43Å; M252-Y373 HydrophobicContact CG-CG 4.17Å; M252-Y373 HydrophobicContact SD-CD1 3.56Å; M252-Y373 VanDerWaalsContact SD-CD1 3.56Å; M252-Y373 HydrophobicContact SD-CD2 4.39Å; M252-Y373 HydrophobicContact SD-CE1 4.15Å; M252-Y373 HydrophobicContact SD-CG 3.67Å; V253-Y373 CarbonylContact O-C 3.52Å; V253-Y373 WeakPolarHBondContact O-CA 3.43Å; I254-Y373 HydrophobicContact CD1-CE1 4.41Å; I254-Y373 HydrophobicContact CG1-CD1 3.97Å; I254-Y373 HydrophobicContact CG1-CE1 3.73Å; A277-Y373 HydrophobicContact CB-CE2 4.4Å; A277-Y373 VanDerWaalsContact CB-OH 3.23Å; A277-Y373 WeakPolarHBondContact CB-OH 3.24Å; A277-Y373 PolarHBondContact N-OH 3.21Å; F279-Y373 HydrophobicContact CZ-CE2 4.43Å; Y300-Y373 HydrophobicContact CD1-CE2 4.37Å; Y300-Y373 AromaticContact CE1-CD2 3.52Å; Y300-Y373 HydrophobicContact CE1-CD2 3.52Å; Y300-Y373 AromaticContact CE1-CE2 3.55Å; Y300-Y373 HydrophobicContact CE1-CE2 3.55Å; Y300-Y373 AromaticContact CZ-CD2 3.86Å; Y300-Y373 WeakPolarHBondContact OH-CD2 3.43Å; F301-Y373 HydrophobicContact CZ-CE2 4.39Å; N369-Y373 PolarHBondContact ND2-N 3.36Å; N369-Y373 PolarHBondContact ND2-O 2.93Å; N369-Y373 PolarHBondContact OD1-N 3.46Å; L371-Y373 HydrophobicContact CB-CD2 3.82Å; L371-Y373 HydrophobicContact CB-CE2 3.81Å; L371-Y373 HydrophobicContact CD1-CD2 4.39Å; L371-Y373 HydrophobicContact CD1-CE2 3.68Å; L371-Y373 HydrophobicContact CG-CE2 4.4Å; L371-Y373 PolarHBondContact O-N 2.8Å
374	Q	87.5	Confident	79.9	Confident	69 Å²	69	70.6 Å²	70.6	32%	0.322	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.3	174.8	60.6	177.5	5.7	0	0	111.1	M252 V253 K255	M252-Q374 WeakPolarHBondContact CA-O 3.21Å; V253-Q374 HydrophobicContact CG2-CG 3.91Å; V253-Q374 PolarHBondContact N-O 2.87Å; V253-Q374 PolarHBondContact O-N 3.5Å; K255-Q374 HydrophobicContact CB-CG 4.3Å
375	W	89.3	Confident	79.2	Confident	39 Å²	39	71.2 Å²	71.2	15%	0.148	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126	167.6	-70.6	111.4	0	0	0	110.1	L241 R243 Q250 M252 V353 M362 L364	L241-W375 HydrophobicContact CB-CH2 3.87Å; L241-W375 HydrophobicContact CB-CZ3 4.29Å; R243-W375 HydrophobicContact CB-CH2 4.15Å; R243-W375 HydrophobicContact CB-CZ3 4.23Å; R243-W375 HydrophobicContact CG-CD2 4.33Å; R243-W375 HydrophobicContact CG-CE3 3.94Å; R243-W375 HydrophobicContact CG-CH2 3.92Å; R243-W375 HydrophobicContact CG-CZ2 4.31Å; R243-W375 HydrophobicContact CG-CZ3 3.73Å; R243-W375 VanDerWaalsContact CZ-CD1 3.4Å; R243-W375 VanDerWaalsContact NH2-CD1 3.32Å; Q250-W375 HydrophobicContact CB-CE3 3.97Å; M252-W375 HydrophobicContact CB-CE3 4.07Å; M252-W375 HydrophobicContact CB-CH2 4.33Å; M252-W375 HydrophobicContact CB-CZ3 3.93Å; M252-W375 HydrophobicContact CE-CH2 3.89Å; M252-W375 HydrophobicContact CE-CZ2 3.71Å; V353-W375 HydrophobicContact CG2-CH2 4.47Å; M362-W375 HydrophobicContact CE-CZ2 3.66Å; L364-W375 VanDerWaalsContact CD1-CD1 3.42Å; L364-W375 HydrophobicContact CD1-CG 4.17Å
376	K	86.2	Confident	78.7	Confident	73 Å²	73	63.5 Å²	63.5	32%	0.317	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.9	175.1	-174.8	173	171	-158.3	0	110.6	Q250 I251 V253 Y378	Q250-K376 VanDerWaalsContact CA-O 3.26Å; Q250-K376 WeakPolarHBondContact CA-O 3.34Å; I251-K376 PolarHBondContact N-O 2.87Å; I251-K376 PolarHBondContact O-N 3.44Å; V253-K376 HydrophobicContact CG2-CB 3.75Å; V253-K376 HydrophobicContact CG2-CD 4.18Å; K376-Y378 HydrophobicContact CB-CE2 3.91Å; K376-Y378 HydrophobicContact CD-CE2 3.83Å; K376-Y378 VanDerWaalsContact CD-OH 3.32Å; K376-Y378 WeakPolarHBondContact CD-OH 3.48Å; K376-Y378 WeakPolarHBondContact CE-OH 3.21Å; K376-Y378 HydrophobicContact CG-CD2 4.33Å; K376-Y378 HydrophobicContact CG-CE2 3.63Å; K376-Y378 PolarHBondContact NZ-OH 3.41Å; K376-Y378 WeakPolarHBondContact O-CD2 3.33Å
377	S	84.2	Confident	78.4	Confident	65 Å²	65	66.2 Å²	66.2	46%	0.455	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	141.7	175.4	-58.3	0	0	0	0	111.5	Q250	Q250-S377 PolarHBondContact NE2-OG 3.17Å
378	Y	75.8	Confident	78.1	Confident	40 Å²	40	62.5 Å²	62.5	16%	0.157	32%	0.319	C	S	.	.			trans	-133.5	153.4	172.1	-71.8	-94.7	0	0	0	109.5	V248 R249 I251 K376 T382 L383 T392	V248-Y378 WeakPolarHBondContact CG1-O 3.45Å; R249-Y378 PolarHBondContact O-N 2.85Å; I251-Y378 HydrophobicContact CG2-CD2 3.48Å; I251-Y378 VanDerWaalsContact CG2-CD2 3.48Å; I251-Y378 HydrophobicContact CG2-CE2 3.16Å; K376-Y378 HydrophobicContact CB-CE2 3.91Å; K376-Y378 HydrophobicContact CD-CE2 3.83Å; K376-Y378 VanDerWaalsContact CD-OH 3.32Å; K376-Y378 WeakPolarHBondContact CD-OH 3.48Å; K376-Y378 WeakPolarHBondContact CE-OH 3.21Å; K376-Y378 HydrophobicContact CG-CD2 4.33Å; K376-Y378 HydrophobicContact CG-CE2 3.63Å; K376-Y378 PolarHBondContact NZ-OH 3.41Å; K376-Y378 WeakPolarHBondContact O-CD2 3.33Å; Y378-T382 HydrophobicContact CD1-CG2 3.89Å; Y378-L383 HydrophobicContact CD2-CD1 4.15Å; Y378-L383 HydrophobicContact CG-CD1 4.17Å; Y378-L383 HydrophobicContact CG-CD2 4.4Å; Y378-L383 HydrophobicContact CG-CG 4.25Å; Y378-T392 HydrophobicContact CE1-CG2 4.15Å; Y378-T392 HydrophobicContact CE2-CG2 4Å; Y378-T392 WeakPolarHBondContact OH-CG2 3.26Å
379	N	71.9	Confident	77.7	Confident	119 Å²	119	59.2 Å²	59.2	64%	0.636	30%	0.304	S	S	*	.			trans	-62.5	142.9	170.3	-69.6	-12.6	0	0	0	109.3	S381 T382	N379-S381 PolarHBondContact O-N 2.96Å; N379-S381 VanDerWaalsContact O-N 3.09Å; N379-T382 WeakPolarHBondContact O-CA 3.29Å; N379-T382 WeakPolarHBondContact O-CB 3.22Å; N379-T382 PolarHBondContact O-N 3.33Å
380	D	67.6	Low	77.5	Confident	72 Å²	72	58.7 Å²	58.7	39%	0.385	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.2	-178.3	-95.1	15	0	0	0	112.8	R249 T382 L383 R384	R249-D380 WeakPolarHBondContact CG-OD1 3.45Å; R249-D380 IonicContact NE-OD1 3.76Å; D380-T382 VanDerWaalsContact C-N 3.3Å; D380-T382 PolarHBondContact O-N 2.91Å; D380-L383 PolarHBondContact O-N 3.48Å; D380-R384 WeakPolarHBondContact O-CG 3.3Å; D380-R384 PolarHBondContact O-N 3.14Å
381	S	65.3	Low	77.4	Confident	74 Å²	74	57.9 Å²	57.9	52%	0.517	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.2	172.9	54.9	0	0	0	0	113.1	N379	N379-S381 PolarHBondContact O-N 2.96Å; N379-S381 VanDerWaalsContact O-N 3.09Å
382	T	61.9	Low	77.1	Confident	56 Å²	56	56.7 Å²	56.7	34%	0.344	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-27.6	-178.3	-48	0	0	0	0	112.2	Y378 N379 D380 S388	Y378-T382 HydrophobicContact CD1-CG2 3.89Å; N379-T382 WeakPolarHBondContact O-CA 3.29Å; N379-T382 WeakPolarHBondContact O-CB 3.22Å; N379-T382 PolarHBondContact O-N 3.33Å; D380-T382 VanDerWaalsContact C-N 3.3Å; D380-T382 PolarHBondContact O-N 2.91Å; T382-S388 WeakPolarHBondContact O-CB 3.28Å; T382-S388 PolarHBondContact O-OG 3.26Å
383	L	68.3	Low	76.7	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.037	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	27.6	-178.2	-59.6	-179.3	0	0	0	112.9	R249 I251 Y378 D380 V389	R249-L383 HydrophobicContact CB-CD1 3.94Å; R249-L383 PolarHBondContact NH1-O 2.9Å; I251-L383 HydrophobicContact CG2-CD1 4.46Å; Y378-L383 HydrophobicContact CD2-CD1 4.15Å; Y378-L383 HydrophobicContact CG-CD1 4.17Å; Y378-L383 HydrophobicContact CG-CD2 4.4Å; Y378-L383 HydrophobicContact CG-CG 4.25Å; D380-L383 PolarHBondContact O-N 3.48Å; L383-V389 HydrophobicContact CD2-CG2 4.07Å
384	R	68.1	Low	76.3	Confident	199 Å²	199	53.2 Å²	53.2	75%	0.751	28%	0.278	S	S	*	.	S	Bend	trans	-75.8	-31	177	-66.6	-168.2	176.4	178.4	-1.8	113.4	D380	D380-R384 WeakPolarHBondContact O-CG 3.3Å; D380-R384 PolarHBondContact O-N 3.14Å
385	S	73	Confident	75.8	Confident	48 Å²	48	51.8 Å²	51.8	34%	0.336	27%	0.273	S	S	.	.	S	Bend	trans	-112.1	150.6	-173.5	88	0	0	0	0	111.5	E387 S388 V389	S385-E387 PolarHBondContact O-N 2.99Å; S385-E387 PolarHBondContact OG-N 3.02Å; S385-S388 PolarHBondContact O-N 2.91Å; S385-S388 PolarHBondContact OG-N 3.21Å; S385-S388 PolarHBondContact OG-OG 2.63Å; S385-V389 PolarHBondContact O-N 3.49Å
386	L	77	Confident	75.3	Confident	39 Å²	39	56.6 Å²	56.6	20%	0.204	30%	0.296	C	S	.	.	H	α-helix	trans	-58.2	-39	171.6	175.5	60.8	0	0	0	111.3	I328 I350 S388 V389 V390 M403	I328-L386 HydrophobicContact CB-CD1 4.45Å; I328-L386 HydrophobicContact CD1-CD1 3.98Å; I328-L386 HydrophobicContact CG2-CD1 3.86Å; I328-L386 HydrophobicContact CG2-CD2 4.22Å; I350-L386 HydrophobicContact CD1-CD1 3.44Å; I350-L386 VanDerWaalsContact CD1-CD1 3.44Å; L386-S388 PolarHBondContact O-N 3.33Å; L386-V389 PolarHBondContact O-N 2.92Å; L386-V390 HydrophobicContact CD1-CG2 4.09Å; L386-V390 HydrophobicContact CG-CG2 4.4Å; L386-V390 WeakPolarHBondContact O-CG2 3.43Å; L386-V390 PolarHBondContact O-N 2.63Å; L386-M403 HydrophobicContact CB-CE 4.47Å; L386-M403 HydrophobicContact CD2-CE 4.25Å; L386-M403 HydrophobicContact CD2-SD 4.33Å; L386-M403 HydrophobicContact CG-CE 4.18Å; L386-M403 HydrophobicContact CG-SD 3.96Å
387	E	78.5	Confident	74.8	Confident	67 Å²	67	58.9 Å²	58.9	31%	0.313	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-45.5	178.8	-178.1	166.2	-155.5	0	0	111.5	S385 V389 V390 N391 M403 K465	S385-E387 PolarHBondContact O-N 2.99Å; S385-E387 PolarHBondContact OG-N 3.02Å; E387-V389 VanDerWaalsContact C-N 3.34Å; E387-V389 PolarHBondContact O-N 2.94Å; E387-V390 PolarHBondContact O-N 3.04Å; E387-N391 WeakPolarHBondContact O-CB 3.39Å; E387-N391 PolarHBondContact O-N 3.19Å; E387-N391 PolarHBondContact O-OD1 2.7Å; E387-M403 HydrophobicContact CB-CE 3.89Å; E387-M403 HydrophobicContact CB-SD 4.2Å; E387-M403 HydrophobicContact CG-CG 4.49Å; E387-K465 IonicContact OE1-NZ 2.77Å; E387-K465 PolarHBondContact OE1-NZ 3.4Å
388	S	75.6	Confident	74.7	Confident	37 Å²	37	56.7 Å²	56.7	26%	0.259	29%	0.289	S	S	.	.	H	α-helix	trans	-66.6	-35.6	179.8	-47.3	0	0	0	0	112.8	T382 S385 L386 T392	T382-S388 WeakPolarHBondContact O-CB 3.28Å; T382-S388 PolarHBondContact O-OG 3.26Å; S385-S388 PolarHBondContact O-N 2.91Å; S385-S388 PolarHBondContact OG-N 3.21Å; S385-S388 PolarHBondContact OG-OG 2.63Å; L386-S388 PolarHBondContact O-N 3.33Å; S388-T392 WeakPolarHBondContact O-CB 3.44Å; S388-T392 PolarHBondContact O-N 3.21Å; S388-T392 VanDerWaalsContact O-N 3.16Å; S388-T392 PolarHBondContact O-OG1 2.82Å
389	V	78.2	Confident	75.1	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-48.1	172	169	0	0	0	0	110.4	I240 I242 I251 I350 L383 S385 L386 E387 T392 A393	I240-V389 HydrophobicContact CD1-CG1 4.35Å; I240-V389 HydrophobicContact CG2-CG1 3.91Å; I242-V389 HydrophobicContact CD1-CG1 3.95Å; I242-V389 HydrophobicContact CD1-CG2 3.96Å; I251-V389 HydrophobicContact CD1-CG1 4.08Å; I350-V389 HydrophobicContact CD1-CG1 4.16Å; L383-V389 HydrophobicContact CD2-CG2 4.07Å; S385-V389 PolarHBondContact O-N 3.49Å; L386-V389 PolarHBondContact O-N 2.92Å; E387-V389 VanDerWaalsContact C-N 3.34Å; E387-V389 PolarHBondContact O-N 2.94Å; V389-T392 WeakPolarHBondContact O-CB 3.43Å; V389-T392 PolarHBondContact O-N 3.01Å; V389-A393 PolarHBondContact O-N 3.46Å
390	V	81.6	Confident	75.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-43.8	-179.4	170.8	0	0	0	0	111.3	I328 L386 E387 T392 A393 F394 S399 I402 M403	I328-V390 HydrophobicContact CD1-CG2 3.77Å; L386-V390 HydrophobicContact CD1-CG2 4.09Å; L386-V390 HydrophobicContact CG-CG2 4.4Å; L386-V390 WeakPolarHBondContact O-CG2 3.43Å; L386-V390 PolarHBondContact O-N 2.63Å; E387-V390 PolarHBondContact O-N 3.04Å; V390-T392 PolarHBondContact O-N 3.31Å; V390-A393 PolarHBondContact O-N 3.42Å; V390-A393 VanDerWaalsContact O-N 3.07Å; V390-F394 HydrophobicContact CG1-CD2 4.06Å; V390-F394 WeakPolarHBondContact O-CD2 3.4Å; V390-F394 PolarHBondContact O-N 3.09Å; V390-S399 PolarHBondContact O-OG 2.96Å; V390-I402 HydrophobicContact CG1-CB 4.07Å; V390-I402 HydrophobicContact CG1-CD1 4.47Å; V390-I402 HydrophobicContact CG1-CG2 3.78Å; V390-I402 HydrophobicContact CG2-CG2 3.96Å; V390-M403 HydrophobicContact CB-SD 4.09Å; V390-M403 HydrophobicContact CG1-CG 4.29Å; V390-M403 HydrophobicContact CG1-SD 4.41Å; V390-M403 HydrophobicContact CG2-SD 3.93Å
391	N	80.1	Confident	76.5	Confident	73 Å²	73	49.8 Å²	49.8	39%	0.39	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-18.4	176.9	-65.4	-5.6	0	0	0	113.1	E387 S399	E387-N391 WeakPolarHBondContact O-CB 3.39Å; E387-N391 PolarHBondContact O-N 3.19Å; E387-N391 PolarHBondContact O-OD1 2.7Å; N391-S399 VanDerWaalsContact OD1-CB 3.22Å; N391-S399 WeakPolarHBondContact OD1-CB 3.23Å; N391-S399 PolarHBondContact OD1-OG 3.3Å
392	T	76.6	Confident	77.4	Confident	20 Å²	20	46.3 Å²	46.3	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-80.8	-30.8	174.5	-61.1	0	0	0	0	111.9	I251 V253 Y378 S388 V389 V390	I251-T392 HydrophobicContact CD1-CG2 4.24Å; I251-T392 HydrophobicContact CG2-CG2 4.04Å; V253-T392 HydrophobicContact CG1-CG2 4.43Å; Y378-T392 HydrophobicContact CE1-CG2 4.15Å; Y378-T392 HydrophobicContact CE2-CG2 4Å; Y378-T392 WeakPolarHBondContact OH-CG2 3.26Å; S388-T392 WeakPolarHBondContact O-CB 3.44Å; S388-T392 PolarHBondContact O-N 3.21Å; S388-T392 VanDerWaalsContact O-N 3.16Å; S388-T392 PolarHBondContact O-OG1 2.82Å; V389-T392 WeakPolarHBondContact O-CB 3.43Å; V389-T392 PolarHBondContact O-N 3.01Å; V390-T392 PolarHBondContact O-N 3.31Å
393	A	77.4	Confident	78.4	Confident	10 Å²	10	43.7 Å²	43.7	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-103	-11.2	-171.2	0	0	0	0	0	114.2	I240 P275 A276 V389 V390	I240-A393 HydrophobicContact CD1-CB 4.36Å; P275-A393 WeakPolarHBondContact CA-O 3.37Å; A276-A393 PolarHBondContact N-O 3.21Å; V389-A393 PolarHBondContact O-N 3.46Å; V390-A393 PolarHBondContact O-N 3.42Å; V390-A393 VanDerWaalsContact O-N 3.07Å
394	F	78.7	Confident	78.9	Confident	3 Å²	3	43.5 Å²	43.5	1%	0.013	21%	0.214	C	C	.	.	S	Bend	trans	-139	159.6	-175.5	-62.5	-87.8	0	0	0	111	I238 I240 N273 P275 V348 V390 Q398 S399 I402	I238-F394 HydrophobicContact CD1-CE1 4.14Å; I238-F394 HydrophobicContact CD1-CZ 4.45Å; I238-F394 HydrophobicContact CG2-CE1 4.22Å; I238-F394 HydrophobicContact CG2-CZ 3.77Å; I240-F394 HydrophobicContact CD1-CE2 3.9Å; I240-F394 HydrophobicContact CG1-CE2 4.48Å; N273-F394 CarbonylContact O-C 3.59Å; P275-F394 HydrophobicContact CB-CD1 3.77Å; P275-F394 HydrophobicContact CB-CE1 3.93Å; V348-F394 HydrophobicContact CG1-CE2 3.93Å; V348-F394 HydrophobicContact CG1-CZ 3.75Å; V348-F394 HydrophobicContact CG2-CZ 4.06Å; V390-F394 HydrophobicContact CG1-CD2 4.06Å; V390-F394 WeakPolarHBondContact O-CD2 3.4Å; V390-F394 PolarHBondContact O-N 3.09Å; F394-Q398 HydrophobicContact CB-CB 4.07Å; F394-Q398 HydrophobicContact CD1-CB 4.29Å; F394-S399 PolarHBondContact O-OG 3.07Å; F394-I402 HydrophobicContact CB-CD1 4.46Å; F394-I402 HydrophobicContact CD1-CD1 3.61Å; F394-I402 HydrophobicContact CD2-CD1 3.72Å; F394-I402 HydrophobicContact CE1-CD1 3.65Å; F394-I402 HydrophobicContact CE2-CD1 3.76Å; F394-I402 HydrophobicContact CG-CD1 3.65Å; F394-I402 HydrophobicContact CZ-CD1 3.73Å
395	D	76.7	Confident	79.4	Confident	40 Å²	40	35.1 Å²	35.1	21%	0.214	19%	0.189	C	C	.	.			trans	-68.4	163	168.5	70.2	62	0	0	0	111.9	L272 K397 Q398 S399	L272-D395 HydrophobicContact CD2-CB 4.02Å; D395-K397 VanDerWaalsContact C-N 3.28Å; D395-K397 PolarHBondContact O-N 3.29Å; D395-K397 WeakPolarHBondContact OD1-CA 3.42Å; D395-K397 WeakPolarHBondContact OD1-CB 3.47Å; D395-K397 PolarHBondContact OD1-N 2.82Å; D395-Q398 PolarHBondContact O-N 3.39Å; D395-Q398 PolarHBondContact OD1-N 2.79Å; D395-Q398 WeakPolarHBondContact OD2-CG 3.2Å; D395-Q398 PolarHBondContact OD2-OE1 3.19Å; D395-S399 WeakPolarHBondContact O-CB 3.44Å; D395-S399 PolarHBondContact O-N 3.21Å; D395-S399 PolarHBondContact O-OG 3.33Å
396	E	77.9	Confident	79.4	Confident	139 Å²	139	33.3 Å²	33.3	65%	0.65	18%	0.177	S	C	*	.	H	α-helix	trans	-54.7	-41.8	-175.5	-170.9	-171.5	154.8	0	0	113.2	S399 K400	E396-S399 PolarHBondContact O-N 2.97Å; E396-K400 WeakPolarHBondContact O-CG 3.36Å; E396-K400 PolarHBondContact O-N 3.03Å; E396-K400 WeakPolarHBondContact OE1-CE 3.27Å; E396-K400 IonicContact OE1-NZ 3.58Å; E396-K400 PolarHBondContact OE1-NZ 2.83Å
397	K	76.7	Confident	79.1	Confident	122 Å²	122	33.9 Å²	33.9	53%	0.53	18%	0.176	S	C	.	.	H	α-helix	trans	-68	-48.6	-177	-177.2	179.7	-180	177.4	0	110.4	D395 S399 K400 V401	D395-K397 VanDerWaalsContact C-N 3.28Å; D395-K397 PolarHBondContact O-N 3.29Å; D395-K397 WeakPolarHBondContact OD1-CA 3.42Å; D395-K397 WeakPolarHBondContact OD1-CB 3.47Å; D395-K397 PolarHBondContact OD1-N 2.82Å; K397-S399 VanDerWaalsContact C-N 3.35Å; K397-K400 PolarHBondContact O-N 3.42Å; K397-V401 WeakPolarHBondContact O-CG2 3.4Å; K397-V401 PolarHBondContact O-N 2.82Å
398	Q	82.4	Confident	78.4	Confident	18 Å²	18	33.6 Å²	33.6	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-64.2	-40.5	176.3	-71.4	-174.7	-19.9	0	0	111.4	L333 S334 F394 D395 K400 V401 I402	L333-Q398 HydrophobicContact CD1-CB 4.44Å; L333-Q398 HydrophobicContact CD1-CG 4.27Å; S334-Q398 PolarHBondContact O-NE2 3.16Å; F394-Q398 HydrophobicContact CB-CB 4.07Å; F394-Q398 HydrophobicContact CD1-CB 4.29Å; D395-Q398 PolarHBondContact O-N 3.39Å; D395-Q398 PolarHBondContact OD1-N 2.79Å; D395-Q398 WeakPolarHBondContact OD2-CG 3.2Å; D395-Q398 PolarHBondContact OD2-OE1 3.19Å; Q398-K400 PolarHBondContact O-N 3.23Å; Q398-V401 PolarHBondContact O-N 3.09Å; Q398-I402 WeakPolarHBondContact O-CB 3.35Å; Q398-I402 VanDerWaalsContact O-CG1 3.28Å; Q398-I402 WeakPolarHBondContact O-CG1 3.37Å; Q398-I402 PolarHBondContact O-N 2.95Å
399	S	83.3	Confident	77.9	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.014	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-45.5	176	-63.2	0	0	0	0	112.1	V390 N391 F394 D395 E396 K397 V401 I402 M403	V390-S399 PolarHBondContact O-OG 2.96Å; N391-S399 VanDerWaalsContact OD1-CB 3.22Å; N391-S399 WeakPolarHBondContact OD1-CB 3.23Å; N391-S399 PolarHBondContact OD1-OG 3.3Å; F394-S399 PolarHBondContact O-OG 3.07Å; D395-S399 WeakPolarHBondContact O-CB 3.44Å; D395-S399 PolarHBondContact O-N 3.21Å; D395-S399 PolarHBondContact O-OG 3.33Å; E396-S399 PolarHBondContact O-N 2.97Å; K397-S399 VanDerWaalsContact C-N 3.35Å; S399-V401 PolarHBondContact O-N 3.4Å; S399-I402 PolarHBondContact O-N 3.02Å; S399-M403 WeakPolarHBondContact O-CB 3.48Å; S399-M403 VanDerWaalsContact O-CG 3.27Å; S399-M403 WeakPolarHBondContact O-CG 2.97Å; S399-M403 PolarHBondContact O-N 2.81Å
400	K	84.8	Confident	77.1	Confident	40 Å²	40	35.8 Å²	35.8	17%	0.174	19%	0.192	C	C	.	.	H	α-helix	trans	-58.4	-47.5	176.2	-73.3	173.9	-178.4	173.2	0	111.6	E396 K397 Q398 M403 A404 D468 I469	E396-K400 WeakPolarHBondContact O-CG 3.36Å; E396-K400 PolarHBondContact O-N 3.03Å; E396-K400 WeakPolarHBondContact OE1-CE 3.27Å; E396-K400 IonicContact OE1-NZ 3.58Å; E396-K400 PolarHBondContact OE1-NZ 2.83Å; K397-K400 PolarHBondContact O-N 3.42Å; Q398-K400 PolarHBondContact O-N 3.23Å; K400-M403 PolarHBondContact O-N 2.86Å; K400-A404 WeakPolarHBondContact O-CB 3.26Å; K400-A404 PolarHBondContact O-N 3.15Å; K400-D468 HydrophobicContact CD-CB 4.33Å; K400-D468 PolarHBondContact NZ-O 3.3Å; K400-I469 HydrophobicContact CB-CD1 4.18Å; K400-I469 HydrophobicContact CB-CG1 3.72Å; K400-I469 HydrophobicContact CD-CG1 4.42Å
401	V	84.5	Confident	76.1	Confident	45 Å²	45	36.4 Å²	36.4	27%	0.273	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-47.3	177.9	172.9	0	0	0	0	111.5	F329 K397 Q398 S399 A404 G405 I469	F329-V401 HydrophobicContact CE2-CG1 3.94Å; F329-V401 HydrophobicContact CZ-CG1 3.84Å; K397-V401 WeakPolarHBondContact O-CG2 3.4Å; K397-V401 PolarHBondContact O-N 2.82Å; Q398-V401 PolarHBondContact O-N 3.09Å; S399-V401 PolarHBondContact O-N 3.4Å; V401-A404 PolarHBondContact O-N 3.2Å; V401-G405 PolarHBondContact O-N 3.06Å; V401-I469 HydrophobicContact CG2-CD1 3.96Å; V401-I469 HydrophobicContact CG2-CG2 4.48Å
402	I	84	Confident	75.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.7	-47	179.6	-72.6	166.1	0	0	0	110.6	I328 F329 L333 V348 V390 F394 Q398 S399 G405 S406	I328-I402 HydrophobicContact CD1-CG2 4.2Å; F329-I402 HydrophobicContact CB-CG1 4.42Å; F329-I402 HydrophobicContact CB-CG2 4.15Å; F329-I402 HydrophobicContact CD1-CG1 4.4Å; F329-I402 HydrophobicContact CD2-CB 4.39Å; F329-I402 HydrophobicContact CD2-CG1 4.3Å; F329-I402 HydrophobicContact CG-CG1 4.14Å; L333-I402 HydrophobicContact CD1-CD1 4.42Å; L333-I402 HydrophobicContact CD1-CG1 4.28Å; V348-I402 HydrophobicContact CG2-CD1 4.1Å; V348-I402 HydrophobicContact CG2-CG1 4.37Å; V390-I402 HydrophobicContact CG1-CB 4.07Å; V390-I402 HydrophobicContact CG1-CD1 4.47Å; V390-I402 HydrophobicContact CG1-CG2 3.78Å; V390-I402 HydrophobicContact CG2-CG2 3.96Å; F394-I402 HydrophobicContact CB-CD1 4.46Å; F394-I402 HydrophobicContact CD1-CD1 3.61Å; F394-I402 HydrophobicContact CD2-CD1 3.72Å; F394-I402 HydrophobicContact CE1-CD1 3.65Å; F394-I402 HydrophobicContact CE2-CD1 3.76Å; F394-I402 HydrophobicContact CG-CD1 3.65Å; F394-I402 HydrophobicContact CZ-CD1 3.73Å; Q398-I402 WeakPolarHBondContact O-CB 3.35Å; Q398-I402 VanDerWaalsContact O-CG1 3.28Å; Q398-I402 WeakPolarHBondContact O-CG1 3.37Å; Q398-I402 PolarHBondContact O-N 2.95Å; S399-I402 PolarHBondContact O-N 3.02Å; I402-G405 PolarHBondContact O-N 3.13Å; I402-S406 WeakPolarHBondContact O-CB 3.09Å; I402-S406 PolarHBondContact O-N 3.42Å
403	M	83.1	Confident	74.5	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-45.6	179.6	-72.8	-53.9	-57.8	0	0	111.6	L386 E387 V390 S399 K400 G405 S406 Y407 K465	L386-M403 HydrophobicContact CB-CE 4.47Å; L386-M403 HydrophobicContact CD2-CE 4.25Å; L386-M403 HydrophobicContact CD2-SD 4.33Å; L386-M403 HydrophobicContact CG-CE 4.18Å; L386-M403 HydrophobicContact CG-SD 3.96Å; E387-M403 HydrophobicContact CB-CE 3.89Å; E387-M403 HydrophobicContact CB-SD 4.2Å; E387-M403 HydrophobicContact CG-CG 4.49Å; V390-M403 HydrophobicContact CB-SD 4.09Å; V390-M403 HydrophobicContact CG1-CG 4.29Å; V390-M403 HydrophobicContact CG1-SD 4.41Å; V390-M403 HydrophobicContact CG2-SD 3.93Å; S399-M403 WeakPolarHBondContact O-CB 3.48Å; S399-M403 VanDerWaalsContact O-CG 3.27Å; S399-M403 WeakPolarHBondContact O-CG 2.97Å; S399-M403 PolarHBondContact O-N 2.81Å; K400-M403 PolarHBondContact O-N 2.86Å; M403-G405 PolarHBondContact O-N 2.84Å; M403-S406 WeakPolarHBondContact O-CB 3.2Å; M403-S406 PolarHBondContact O-N 3.23Å; M403-S406 VanDerWaalsContact O-N 3.16Å; M403-S406 PolarHBondContact O-OG 3.15Å; M403-Y407 HydrophobicContact CB-CE2 4.43Å; M403-Y407 HydrophobicContact CE-CE2 3.79Å; M403-Y407 WeakPolarHBondContact CE-OH 3.18Å; M403-Y407 WeakPolarHBondContact O-CD2 3.28Å; M403-Y407 PolarHBondContact O-N 2.88Å; M403-K465 HydrophobicContact CB-CG 4.46Å
404	A	79.6	Confident	73.9	Confident	4 Å²	4	47.2 Å²	47.2	3%	0.033	23%	0.233	C	C	.	.	H	α-helix	trans	-57.2	-49.4	174.5	0	0	0	0	0	111.3	K400 V401 S406 Y407 L408 W462 K465 I469	K400-A404 WeakPolarHBondContact O-CB 3.26Å; K400-A404 PolarHBondContact O-N 3.15Å; V401-A404 PolarHBondContact O-N 3.2Å; A404-S406 VanDerWaalsContact C-N 3.26Å; A404-S406 PolarHBondContact O-N 3.29Å; A404-Y407 PolarHBondContact O-N 2.95Å; A404-L408 PolarHBondContact O-N 3.19Å; A404-W462 VanDerWaalsContact O-CD1 3.23Å; A404-K465 HydrophobicContact CB-CB 4.41Å; A404-I469 HydrophobicContact CB-CD1 4.38Å
405	G	76.8	Confident	73.3	Confident	22 Å²	22	51.8 Å²	51.8	23%	0.227	26%	0.257	C	S	.	.	H	α-helix	trans	-60	-34.8	176.5	0	0	0	0	0	113.4	V401 I402 M403 Y407 L408 S409	V401-G405 PolarHBondContact O-N 3.06Å; I402-G405 PolarHBondContact O-N 3.13Å; M403-G405 PolarHBondContact O-N 2.84Å; G405-Y407 VanDerWaalsContact C-N 3.33Å; G405-Y407 PolarHBondContact O-N 3.19Å; G405-L408 PolarHBondContact O-N 2.95Å; G405-S409 PolarHBondContact O-N 3.29Å
406	S	74.8	Confident	72.6	Confident	11 Å²	11	57.5 Å²	57.5	8%	0.077	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-34.8	178.2	83.2	0	0	0	0	112.9	I328 I402 M403 A404 S409 P410	I328-S406 WeakPolarHBondContact O-CA 3.44Å; I328-S406 WeakPolarHBondContact O-CB 3.43Å; I402-S406 WeakPolarHBondContact O-CB 3.09Å; I402-S406 PolarHBondContact O-N 3.42Å; M403-S406 WeakPolarHBondContact O-CB 3.2Å; M403-S406 PolarHBondContact O-N 3.23Å; M403-S406 VanDerWaalsContact O-N 3.16Å; M403-S406 PolarHBondContact O-OG 3.15Å; A404-S406 VanDerWaalsContact C-N 3.26Å; A404-S406 PolarHBondContact O-N 3.29Å; S406-S409 PolarHBondContact O-OG 2.92Å; S406-S409 VanDerWaalsContact O-OG 3.08Å; S406-P410 WeakPolarHBondContact O-CD 3.47Å
407	Y	70.9	Confident	72.1	Confident	50 Å²	50	56.2 Å²	56.2	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-79.6	-25	178.1	-66	-59.6	0	0	0	113.7	M403 A404 G405 S409 P410 Y458 K461	M403-Y407 HydrophobicContact CB-CE2 4.43Å; M403-Y407 HydrophobicContact CE-CE2 3.79Å; M403-Y407 WeakPolarHBondContact CE-OH 3.18Å; M403-Y407 WeakPolarHBondContact O-CD2 3.28Å; M403-Y407 PolarHBondContact O-N 2.88Å; A404-Y407 PolarHBondContact O-N 2.95Å; G405-Y407 VanDerWaalsContact C-N 3.33Å; G405-Y407 PolarHBondContact O-N 3.19Å; Y407-S409 VanDerWaalsContact C-N 3.32Å; Y407-P410 WeakPolarHBondContact O-CD 3.46Å; Y407-Y458 AromaticContact CD1-CD1 3.77Å; Y407-Y458 HydrophobicContact CD1-CD1 3.77Å; Y407-Y458 AromaticContact CD1-CE1 3.92Å; Y407-Y458 HydrophobicContact CD1-CE1 3.92Å; Y407-Y458 HydrophobicContact CG-CD1 4.45Å; Y407-K461 HydrophobicContact CE1-CD 4.29Å
408	L	63.1	Low	71.7	Confident	61 Å²	61	51.8 Å²	51.8	32%	0.319	25%	0.251	S	S	.	.	H	α-helix	trans	-71.7	-25.8	173.8	-97.4	160	0	0	0	113.1	A404 G405 T411 W462	A404-L408 PolarHBondContact O-N 3.19Å; G405-L408 PolarHBondContact O-N 2.95Å; L408-T411 WeakPolarHBondContact CA-OG1 3.16Å; L408-T411 PolarHBondContact O-OG1 3.45Å; L408-W462 VanDerWaalsContact CD1-CD1 3.49Å; L408-W462 HydrophobicContact CD1-CD2 4.21Å; L408-W462 HydrophobicContact CD1-CG 4.16Å; L408-W462 HydrophobicContact CD1-CZ2 4.11Å; L408-W462 HydrophobicContact CG-CD2 4.22Å; L408-W462 HydrophobicContact CG-CG 3.96Å
409	S	65.2	Low	71.3	Confident	54 Å²	54	54.9 Å²	54.9	38%	0.378	27%	0.267	S	S	.	.	H	α-helix	trans	-67.7	-45.8	-175.5	73.6	0	0	0	0	113.2	G405 S406 Y407 Y413	G405-S409 PolarHBondContact O-N 3.29Å; S406-S409 PolarHBondContact O-OG 2.92Å; S406-S409 VanDerWaalsContact O-OG 3.08Å; Y407-S409 VanDerWaalsContact C-N 3.32Å; S409-Y413 WeakPolarHBondContact O-CD2 3.37Å; S409-Y413 WeakPolarHBondContact O-CE2 2.85Å
410	P	61.2	Low	70.5	Confident	37 Å²	37	57.5 Å²	57.5	24%	0.24	29%	0.286	C	S	.	.	H	α-helix	trans	-72.5	-32.6	179.7	-17.3	35.2	0	0	0	112.2	S406 Y407 K412 Y413 I414 Y458	S406-P410 WeakPolarHBondContact O-CD 3.47Å; Y407-P410 WeakPolarHBondContact O-CD 3.46Å; P410-K412 VanDerWaalsContact C-N 3.3Å; P410-K412 PolarHBondContact O-N 3.28Å; P410-Y413 PolarHBondContact O-N 2.92Å; P410-Y413 VanDerWaalsContact O-N 3.1Å; P410-I414 HydrophobicContact CB-CD1 4.48Å; P410-I414 VanDerWaalsContact O-CG1 3.28Å; P410-I414 WeakPolarHBondContact O-CG1 3.32Å; P410-I414 PolarHBondContact O-N 2.92Å; P410-Y458 HydrophobicContact CB-CE1 4.22Å; P410-Y458 HydrophobicContact CG-CD1 4.33Å; P410-Y458 HydrophobicContact CG-CE1 3.89Å
411	T	60	Low	69.8	Low	13 Å²	13	56.4 Å²	56.4	8%	0.08	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-36.6	-179.4	47.6	0	0	0	0	112.5	L408 I414 L415 Y458 V459	L408-T411 WeakPolarHBondContact CA-OG1 3.16Å; L408-T411 PolarHBondContact O-OG1 3.45Å; T411-I414 PolarHBondContact O-N 3.39Å; T411-L415 VanDerWaalsContact O-CB 3.28Å; T411-L415 WeakPolarHBondContact O-CB 3.39Å; T411-L415 PolarHBondContact O-N 3.07Å; T411-Y458 HydrophobicContact CG2-CG 4.11Å; T411-V459 HydrophobicContact CG2-CG2 3.96Å
412	K	61.2	Low	69.3	Low	129 Å²	129	59.4 Å²	59.4	56%	0.561	30%	0.295	S	S	*	.	H	α-helix	trans	-60.1	-46	173	-69.8	-176.8	179.9	-176.7	0	111.6	P410 L415 Y416	P410-K412 VanDerWaalsContact C-N 3.3Å; P410-K412 PolarHBondContact O-N 3.28Å; K412-L415 PolarHBondContact O-N 3.35Å; K412-Y416 HydrophobicContact CB-CE2 4.46Å; K412-Y416 WeakPolarHBondContact O-CD2 3.3Å; K412-Y416 PolarHBondContact O-N 2.94Å
413	Y	61.3	Low	68.8	Low	169 Å²	169	63.7 Å²	63.7	66%	0.663	32%	0.317	S	S	*	.	H	α-helix	trans	-66.8	-40.2	178.1	-66.1	-76.1	0	0	0	112.6	S409 P410 L415 Y416 F417	S409-Y413 WeakPolarHBondContact O-CD2 3.37Å; S409-Y413 WeakPolarHBondContact O-CE2 2.85Å; P410-Y413 PolarHBondContact O-N 2.92Å; P410-Y413 VanDerWaalsContact O-N 3.1Å; Y413-L415 VanDerWaalsContact C-N 3.34Å; Y413-Y416 PolarHBondContact O-N 3.46Å; Y413-F417 WeakPolarHBondContact O-CB 3.21Å; Y413-F417 PolarHBondContact O-N 3.16Å
414	I	66.2	Low	68.3	Low	32 Å²	32	67.5 Å²	67.5	16%	0.164	34%	0.34	C	S	.	.	H	α-helix	trans	-66.2	-39.9	177.3	-64.2	168.7	0	0	0	110.4	P410 T411 F417 I418 A451 I454 A455	P410-I414 HydrophobicContact CB-CD1 4.48Å; P410-I414 VanDerWaalsContact O-CG1 3.28Å; P410-I414 WeakPolarHBondContact O-CG1 3.32Å; P410-I414 PolarHBondContact O-N 2.92Å; T411-I414 PolarHBondContact O-N 3.39Å; I414-F417 WeakPolarHBondContact O-CB 3.43Å; I414-F417 PolarHBondContact O-N 3.15Å; I414-I418 HydrophobicContact CG2-CD1 4.03Å; I414-I418 HydrophobicContact CG2-CG1 4.48Å; I414-I418 VanDerWaalsContact O-CG1 3.27Å; I414-I418 WeakPolarHBondContact O-CG1 3.44Å; I414-I418 PolarHBondContact O-N 3.37Å; I414-A451 HydrophobicContact CG2-CB 3.83Å; I414-A451 WeakPolarHBondContact CG2-O 3.46Å; I414-I454 HydrophobicContact CD1-CB 4.24Å; I414-I454 HydrophobicContact CD1-CG2 3.49Å; I414-I454 VanDerWaalsContact CD1-CG2 3.49Å; I414-A455 HydrophobicContact CB-CB 4.43Å; I414-A455 HydrophobicContact CG2-CB 3.81Å
415	L	65.1	Low	67.9	Low	98 Å²	98	67.5 Å²	67.5	51%	0.513	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-43.6	174.4	-173.9	67.7	0	0	0	111.6	T411 K412 Y413 F417 I418 I419	T411-L415 VanDerWaalsContact O-CB 3.28Å; T411-L415 WeakPolarHBondContact O-CB 3.39Å; T411-L415 PolarHBondContact O-N 3.07Å; K412-L415 PolarHBondContact O-N 3.35Å; Y413-L415 VanDerWaalsContact C-N 3.34Å; L415-F417 VanDerWaalsContact C-N 3.29Å; L415-F417 PolarHBondContact O-N 2.92Å; L415-I418 PolarHBondContact O-N 2.94Å; L415-I419 HydrophobicContact CG-CD1 4.08Å; L415-I419 VanDerWaalsContact O-CG1 3.28Å; L415-I419 WeakPolarHBondContact O-CG1 3.35Å; L415-I419 PolarHBondContact O-N 3.47Å
416	Y	62.7	Low	67.6	Low	161 Å²	161	71 Å²	71	63%	0.631	35%	0.353	S	S	*	.	H	α-helix	trans	-60.8	-39.3	173	-73.2	-58.1	0	0	0	112.3	K412 Y413 I419 S420	K412-Y416 HydrophobicContact CB-CE2 4.46Å; K412-Y416 WeakPolarHBondContact O-CD2 3.3Å; K412-Y416 PolarHBondContact O-N 2.94Å; Y413-Y416 PolarHBondContact O-N 3.46Å; Y416-I419 PolarHBondContact O-N 3.47Å; Y416-S420 WeakPolarHBondContact O-CB 3.45Å; Y416-S420 PolarHBondContact O-N 3.25Å; Y416-S420 PolarHBondContact O-OG 3.43Å; Y416-S420 VanDerWaalsContact O-OG 3.11Å
417	F	67.3	Low	67.2	Low	112 Å²	112	75.3 Å²	75.3	49%	0.491	37%	0.374	S	S	.	.	H	α-helix	trans	-66	-38.5	175.9	-172.8	-93.2	0	0	0	112.4	Y413 I414 L415 S420 G421 A451	Y413-F417 WeakPolarHBondContact O-CB 3.21Å; Y413-F417 PolarHBondContact O-N 3.16Å; I414-F417 WeakPolarHBondContact O-CB 3.43Å; I414-F417 PolarHBondContact O-N 3.15Å; L415-F417 VanDerWaalsContact C-N 3.29Å; L415-F417 PolarHBondContact O-N 2.92Å; F417-S420 WeakPolarHBondContact CA-OG 3.36Å; F417-S420 PolarHBondContact O-OG 2.85Å; F417-S420 VanDerWaalsContact O-OG 3.09Å; F417-G421 PolarHBondContact O-N 2.74Å; F417-A451 HydrophobicContact CD1-CB 4.18Å
418	I	69.2	Low	66.9	Low	29 Å²	29	76.5 Å²	76.5	15%	0.149	38%	0.383	C	S	.	.	H	α-helix	trans	-63.9	-46.5	173.7	-69.5	162.7	0	0	0	110.2	I414 L415 G421 F422 I448 A451 A452 A455	I414-I418 HydrophobicContact CG2-CD1 4.03Å; I414-I418 HydrophobicContact CG2-CG1 4.48Å; I414-I418 VanDerWaalsContact O-CG1 3.27Å; I414-I418 WeakPolarHBondContact O-CG1 3.44Å; I414-I418 PolarHBondContact O-N 3.37Å; L415-I418 PolarHBondContact O-N 2.94Å; I418-G421 PolarHBondContact O-N 3.2Å; I418-F422 WeakPolarHBondContact O-CB 3.22Å; I418-F422 PolarHBondContact O-N 2.9Å; I418-I448 HydrophobicContact CG2-CG2 4.11Å; I418-A451 HydrophobicContact CD1-CB 4.05Å; I418-A451 HydrophobicContact CG1-CB 3.56Å; I418-A452 HydrophobicContact CD1-CB 4.06Å; I418-A455 HydrophobicContact CD1-CB 4.41Å
419	I	72.2	Confident	66.9	Low	83 Å²	83	78.5 Å²	78.5	43%	0.426	39%	0.393	S	S	.	.	H	α-helix	trans	-63.4	-46.6	179.4	-67.3	165.6	0	0	0	110.5	L415 Y416 F422 I423	L415-I419 HydrophobicContact CG-CD1 4.08Å; L415-I419 VanDerWaalsContact O-CG1 3.28Å; L415-I419 WeakPolarHBondContact O-CG1 3.35Å; L415-I419 PolarHBondContact O-N 3.47Å; Y416-I419 PolarHBondContact O-N 3.47Å; I419-F422 PolarHBondContact O-N 3.19Å; I419-I423 HydrophobicContact CG2-CD1 3.95Å; I419-I423 VanDerWaalsContact O-CG1 3.29Å; I419-I423 WeakPolarHBondContact O-CG1 3.42Å; I419-I423 PolarHBondContact O-N 2.83Å
420	S	67.5	Low	66.8	Low	57 Å²	57	79.1 Å²	79.1	40%	0.399	41%	0.409	S	S	.	.	H	α-helix	trans	-66.7	-41.2	178.5	63.7	0	0	0	0	112	Y416 F417 F422 I423 V424	Y416-S420 WeakPolarHBondContact O-CB 3.45Å; Y416-S420 PolarHBondContact O-N 3.25Å; Y416-S420 PolarHBondContact O-OG 3.43Å; Y416-S420 VanDerWaalsContact O-OG 3.11Å; F417-S420 WeakPolarHBondContact CA-OG 3.36Å; F417-S420 PolarHBondContact O-OG 2.85Å; F417-S420 VanDerWaalsContact O-OG 3.09Å; S420-F422 VanDerWaalsContact C-N 3.31Å; S420-F422 PolarHBondContact O-N 3Å; S420-I423 PolarHBondContact O-N 2.93Å; S420-V424 WeakPolarHBondContact O-CG2 3.49Å; S420-V424 PolarHBondContact O-N 3.24Å
421	G	70.2	Confident	66.6	Low	17 Å²	17	82.5 Å²	82.5	18%	0.175	43%	0.428	C	S	.	.	H	α-helix	trans	-59.3	-41.8	173.5	0	0	0	0	0	112.1	F417 I418 V424 T425	F417-G421 PolarHBondContact O-N 2.74Å; I418-G421 PolarHBondContact O-N 3.2Å; G421-V424 PolarHBondContact O-N 2.99Å; G421-T425 WeakPolarHBondContact O-CB 3.48Å; G421-T425 PolarHBondContact O-N 3.03Å; G421-T425 PolarHBondContact O-OG1 2.94Å
422	F	73.7	Confident	66.2	Low	108 Å²	108	83.7 Å²	83.7	47%	0.474	44%	0.44	S	S	.	.	H	α-helix	trans	-64.2	-44	175.5	-166.7	-100.1	0	0	0	111.9	I418 I419 S420 T425 L426	I418-F422 WeakPolarHBondContact O-CB 3.22Å; I418-F422 PolarHBondContact O-N 2.9Å; I419-F422 PolarHBondContact O-N 3.19Å; S420-F422 VanDerWaalsContact C-N 3.31Å; S420-F422 PolarHBondContact O-N 3Å; F422-T425 PolarHBondContact O-N 2.78Å; F422-L426 HydrophobicContact CD1-CD1 3.72Å; F422-L426 HydrophobicContact CD1-CG 4.22Å; F422-L426 HydrophobicContact CE1-CD1 3.54Å; F422-L426 HydrophobicContact CE1-CD2 4.45Å; F422-L426 HydrophobicContact CE1-CG 4.05Å; F422-L426 HydrophobicContact CZ-CD1 4.44Å; F422-L426 WeakPolarHBondContact O-CG 3.13Å; F422-L426 PolarHBondContact O-N 3.19Å
423	I	73.6	Confident	65.8	Low	90 Å²	90	85.8 Å²	85.8	46%	0.462	46%	0.455	S	S	.	.	H	α-helix	trans	-60.3	-46.6	175.4	-67.9	165.4	0	0	0	111.1	I419 S420 T425 L426 I427	I419-I423 HydrophobicContact CG2-CD1 3.95Å; I419-I423 VanDerWaalsContact O-CG1 3.29Å; I419-I423 WeakPolarHBondContact O-CG1 3.42Å; I419-I423 PolarHBondContact O-N 2.83Å; S420-I423 PolarHBondContact O-N 2.93Å; I423-T425 VanDerWaalsContact C-N 3.31Å; I423-T425 PolarHBondContact O-N 3.47Å; I423-L426 PolarHBondContact O-N 2.88Å; I423-I427 HydrophobicContact CG2-CD1 3.88Å; I423-I427 WeakPolarHBondContact O-CG1 3.49Å; I423-I427 PolarHBondContact O-N 2.93Å
424	V	73.2	Confident	65.5	Low	80 Å²	80	81.5 Å²	81.5	49%	0.485	46%	0.462	S	S	.	.	H	α-helix	trans	-62.6	-40.2	177.4	172	0	0	0	0	111.1	S420 G421 I427 L428	S420-V424 WeakPolarHBondContact O-CG2 3.49Å; S420-V424 PolarHBondContact O-N 3.24Å; G421-V424 PolarHBondContact O-N 2.99Å; V424-I427 PolarHBondContact O-N 3Å; V424-L428 HydrophobicContact CG1-CD1 3.85Å; V424-L428 HydrophobicContact CG1-CG 4.33Å; V424-L428 WeakPolarHBondContact O-CB 3.11Å; V424-L428 WeakPolarHBondContact O-CG 3.4Å; V424-L428 PolarHBondContact O-N 2.86Å
425	T	70	Confident	64.9	Low	5 Å²	5	85 Å²	85	3%	0.031	49%	0.485	C	S	.	.	H	α-helix	trans	-63.1	-42.7	176.9	-50.9	0	0	0	0	110.9	G421 F422 I423 L428 I429 P444 F445	G421-T425 WeakPolarHBondContact O-CB 3.48Å; G421-T425 PolarHBondContact O-N 3.03Å; G421-T425 PolarHBondContact O-OG1 2.94Å; F422-T425 PolarHBondContact O-N 2.78Å; I423-T425 VanDerWaalsContact C-N 3.31Å; I423-T425 PolarHBondContact O-N 3.47Å; T425-L428 PolarHBondContact O-N 2.92Å; T425-I429 HydrophobicContact CG2-CD1 4.39Å; T425-I429 VanDerWaalsContact O-CG1 3.25Å; T425-I429 WeakPolarHBondContact O-CG1 3.35Å; T425-I429 PolarHBondContact O-N 2.97Å; T425-P444 HydrophobicContact CG2-CB 4.38Å; T425-P444 VanDerWaalsContact OG1-CB 3.28Å; T425-P444 WeakPolarHBondContact OG1-CB 3.33Å; T425-F445 HydrophobicContact CG2-CD2 4.32Å; T425-F445 HydrophobicContact CG2-CE2 3.88Å
426	L	71.3	Confident	64.6	Low	94 Å²	94	83.6 Å²	83.6	49%	0.492	48%	0.483	S	S	.	.	H	α-helix	trans	-62.4	-41.3	174.3	-73	173.5	0	0	0	112.6	F422 I423 I429 G430	F422-L426 HydrophobicContact CD1-CD1 3.72Å; F422-L426 HydrophobicContact CD1-CG 4.22Å; F422-L426 HydrophobicContact CE1-CD1 3.54Å; F422-L426 HydrophobicContact CE1-CD2 4.45Å; F422-L426 HydrophobicContact CE1-CG 4.05Å; F422-L426 HydrophobicContact CZ-CD1 4.44Å; F422-L426 WeakPolarHBondContact O-CG 3.13Å; F422-L426 PolarHBondContact O-N 3.19Å; I423-L426 PolarHBondContact O-N 2.88Å; L426-I429 PolarHBondContact O-N 3.35Å; L426-G430 PolarHBondContact O-N 3.1Å
427	I	66.8	Low	64.4	Low	103 Å²	103	83 Å²	83	53%	0.528	48%	0.484	S	S	.	.	H	α-helix	trans	-64.9	-43.6	176.4	-66.7	166.3	0	0	0	110.7	I423 V424 I429 G430 V431	I423-I427 HydrophobicContact CG2-CD1 3.88Å; I423-I427 WeakPolarHBondContact O-CG1 3.49Å; I423-I427 PolarHBondContact O-N 2.93Å; V424-I427 PolarHBondContact O-N 3Å; I427-I429 VanDerWaalsContact C-N 3.3Å; I427-I429 PolarHBondContact O-N 3.13Å; I427-G430 WeakPolarHBondContact O-CA 3.25Å; I427-G430 PolarHBondContact O-N 3.39Å; I427-V431 HydrophobicContact CG2-CG2 4.47Å; I427-V431 WeakPolarHBondContact O-CG2 3.2Å; I427-V431 PolarHBondContact O-N 3.24Å
428	L	63.9	Low	64.1	Low	75 Å²	75	86.1 Å²	86.1	39%	0.393	50%	0.497	S	S	.	.	H	α-helix	trans	-64.4	-33.9	178.2	-74.2	168.8	0	0	0	112.4	V424 T425 G430 V431 A432	V424-L428 HydrophobicContact CG1-CD1 3.85Å; V424-L428 HydrophobicContact CG1-CG 4.33Å; V424-L428 WeakPolarHBondContact O-CB 3.11Å; V424-L428 WeakPolarHBondContact O-CG 3.4Å; V424-L428 PolarHBondContact O-N 2.86Å; T425-L428 PolarHBondContact O-N 2.92Å; L428-G430 PolarHBondContact O-N 3.27Å; L428-V431 PolarHBondContact O-N 2.82Å; L428-A432 VanDerWaalsContact O-CB 3.29Å; L428-A432 WeakPolarHBondContact O-CB 3.4Å; L428-A432 PolarHBondContact O-N 3.42Å
429	I	63.4	Low	63.5	Low	102 Å²	102	90.2 Å²	90.2	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-59.9	-35.5	171	-69.3	163	0	0	0	110.8	T425 L426 I427 L441	T425-I429 HydrophobicContact CG2-CD1 4.39Å; T425-I429 VanDerWaalsContact O-CG1 3.25Å; T425-I429 WeakPolarHBondContact O-CG1 3.35Å; T425-I429 PolarHBondContact O-N 2.97Å; L426-I429 PolarHBondContact O-N 3.35Å; I427-I429 VanDerWaalsContact C-N 3.3Å; I427-I429 PolarHBondContact O-N 3.13Å; I429-L441 HydrophobicContact CG1-CD1 4.2Å
430	G	62.1	Low	63	Low	68 Å²	68	88 Å²	88	70%	0.701	51%	0.512	S	S	*	.	H	α-helix	trans	-75.3	-24.3	177.5	0	0	0	0	0	115.3	L426 I427 L428	L426-G430 PolarHBondContact O-N 3.1Å; I427-G430 WeakPolarHBondContact O-CA 3.25Å; I427-G430 PolarHBondContact O-N 3.39Å; L428-G430 PolarHBondContact O-N 3.27Å
431	V	57.3	Low	62.9	Low	107 Å²	107	88.1 Å²	88.1	65%	0.648	51%	0.508	S	S	*	.	H	α-helix	trans	-110.8	-16.8	-169.7	-178.4	0	0	0	0	113.8	I427 L428 I433	I427-V431 HydrophobicContact CG2-CG2 4.47Å; I427-V431 WeakPolarHBondContact O-CG2 3.2Å; I427-V431 PolarHBondContact O-N 3.24Å; L428-V431 PolarHBondContact O-N 2.82Å; V431-I433 VanDerWaalsContact C-N 3.34Å; V431-I433 PolarHBondContact O-N 3.3Å
432	A	52.1	Low	62.9	Low	39 Å²	39	90 Å²	90	32%	0.322	52%	0.522	S	S	.	.			trans	-76.8	77.7	-171.5	0	0	0	0	0	114.4	L428	L428-A432 VanDerWaalsContact O-CB 3.29Å; L428-A432 WeakPolarHBondContact O-CB 3.4Å; L428-A432 PolarHBondContact O-N 3.42Å
433	I	52.7	Low	62.8	Low	173 Å²	173	89.9 Å²	89.9	89%	0.887	53%	0.525	S	S	*	.	S	Bend	trans	-86.9	100.7	153.5	-55.6	172.2	0	0	0	106.3	V431	V431-I433 VanDerWaalsContact C-N 3.34Å; V431-I433 PolarHBondContact O-N 3.3Å
434	G	55.6	Low	62.7	Low	78 Å²	78	86.8 Å²	86.8	80%	0.804	51%	0.511	S	S	*	.	S	Bend	trans	124.1	-16.4	157.3	0	0	0	0	0	119.7
435	V	52.6	Low	62.8	Low	106 Å²	106	88 Å²	88	64%	0.642	51%	0.51	S	S	*	.	S	Bend	trans	-100.4	138.7	171	-166.8	0	0	0	0	109	K437	V435-K437 PolarHBondContact O-N 2.99Å
436	S	58.4	Low	63.1	Low	69 Å²	69	90.4 Å²	90.4	48%	0.483	53%	0.531	S	S	.	.			trans	-47.7	112.8	-178.7	118.1	0	0	0	0	109.5	F438 I439	S436-F438 PolarHBondContact O-N 3.16Å; S436-I439 PolarHBondContact O-N 2.82Å
437	K	58.7	Low	63.3	Low	149 Å²	149	90.3 Å²	90.3	65%	0.648	53%	0.53	S	S	*	.	H	α-helix	trans	-55.5	-24.4	-169.1	-67.2	-176.3	177.1	-176.1	0	112.3	V435 L441	V435-K437 PolarHBondContact O-N 2.99Å; K437-L441 WeakPolarHBondContact O-CB 3.08Å; K437-L441 PolarHBondContact O-N 3.27Å
438	F	60.6	Low	63.8	Low	177 Å²	177	86.6 Å²	86.6	78%	0.776	51%	0.511	S	S	*	.	H	α-helix	trans	-71.7	-44.6	-177.8	-69.9	-78.5	0	0	0	113.8	S436 A442	S436-F438 PolarHBondContact O-N 3.16Å; F438-A442 VanDerWaalsContact O-CB 3.23Å; F438-A442 WeakPolarHBondContact O-CB 3.49Å; F438-A442 PolarHBondContact O-N 3.42Å
439	I	58.1	Low	64.4	Low	114 Å²	114	85.7 Å²	85.7	59%	0.585	52%	0.515	S	S	*	.	H	α-helix	trans	-74.5	-39.7	-177	-58.8	175.1	0	0	0	110.2	S436 L441 A442 I443	S436-I439 PolarHBondContact O-N 2.82Å; I439-L441 VanDerWaalsContact C-N 3.3Å; I439-L441 PolarHBondContact O-N 3.48Å; I439-A442 PolarHBondContact O-N 3.43Å; I439-I443 HydrophobicContact CG2-CD1 4.43Å
440	A	62.2	Low	65	Low	36 Å²	36	85 Å²	85	30%	0.298	52%	0.515	S	S	.	.	H	α-helix	trans	-65.1	-30.7	178.2	0	0	0	0	0	113	P444	A440-P444 WeakPolarHBondContact O-CD 3.44Å; A440-P444 WeakPolarHBondContact O-CG 3.33Å
441	L	63.9	Low	65.6	Low	60 Å²	60	82.2 Å²	82.2	31%	0.314	49%	0.485	S	S	.	.	H	α-helix	trans	-84.6	-39	174.1	-102.6	81.6	0	0	0	113.4	I429 K437 I439 I443 P444 F445	I429-L441 HydrophobicContact CG1-CD1 4.2Å; K437-L441 WeakPolarHBondContact O-CB 3.08Å; K437-L441 PolarHBondContact O-N 3.27Å; I439-L441 VanDerWaalsContact C-N 3.3Å; I439-L441 PolarHBondContact O-N 3.48Å; L441-I443 VanDerWaalsContact C-N 3.33Å; L441-I443 PolarHBondContact O-N 2.81Å; L441-P444 VanDerWaalsContact O-CD 3.31Å; L441-P444 WeakPolarHBondContact O-CD 3.26Å; L441-F445 HydrophobicContact CB-CD2 4.26Å; L441-F445 HydrophobicContact CD2-CD2 4.23Å; L441-F445 HydrophobicContact CD2-CE2 3.71Å; L441-F445 HydrophobicContact CG-CD2 4.29Å; L441-F445 HydrophobicContact CG-CE2 4.09Å; L441-F445 VanDerWaalsContact O-CD2 3.31Å; L441-F445 WeakPolarHBondContact O-CD2 3.26Å; L441-F445 PolarHBondContact O-N 3.38Å; L441-F445 VanDerWaalsContact O-N 3.15Å
442	A	71.7	Confident	66.5	Low	57 Å²	57	78.9 Å²	78.9	47%	0.471	47%	0.469	S	S	.	.	H	α-helix	trans	-61.4	-39.6	-170.2	0	0	0	0	0	113.1	F438 I439 F445 A446	F438-A442 VanDerWaalsContact O-CB 3.23Å; F438-A442 WeakPolarHBondContact O-CB 3.49Å; F438-A442 PolarHBondContact O-N 3.42Å; I439-A442 PolarHBondContact O-N 3.43Å; A442-F445 PolarHBondContact O-N 3.07Å; A442-A446 WeakPolarHBondContact O-CB 3.41Å; A442-A446 PolarHBondContact O-N 2.82Å
443	I	71	Confident	67.6	Low	105 Å²	105	84.4 Å²	84.4	54%	0.538	49%	0.486	S	S	.	.	H	α-helix	trans	-67	-52	-177.8	-62.7	170.4	0	0	0	111.6	I439 L441 F445 A446 L447	I439-I443 HydrophobicContact CG2-CD1 4.43Å; L441-I443 VanDerWaalsContact C-N 3.33Å; L441-I443 PolarHBondContact O-N 2.81Å; I443-F445 VanDerWaalsContact C-N 3.34Å; I443-F445 PolarHBondContact O-N 3.38Å; I443-A446 PolarHBondContact O-N 3.33Å; I443-L447 HydrophobicContact CG2-CD1 4.11Å; I443-L447 WeakPolarHBondContact O-CG 3.19Å; I443-L447 PolarHBondContact O-N 2.86Å
444	P	71.3	Confident	68.5	Low	26 Å²	26	79.5 Å²	79.5	17%	0.169	46%	0.461	C	S	.	.	H	α-helix	trans	-56.2	-43.6	173.5	-26.1	32	0	0	0	113.5	T425 A440 L441 L447 I448	T425-P444 HydrophobicContact CG2-CB 4.38Å; T425-P444 VanDerWaalsContact OG1-CB 3.28Å; T425-P444 WeakPolarHBondContact OG1-CB 3.33Å; A440-P444 WeakPolarHBondContact O-CD 3.44Å; A440-P444 WeakPolarHBondContact O-CG 3.33Å; L441-P444 VanDerWaalsContact O-CD 3.31Å; L441-P444 WeakPolarHBondContact O-CD 3.26Å; P444-L447 PolarHBondContact O-N 3.08Å; P444-I448 WeakPolarHBondContact O-CB 3.34Å; P444-I448 WeakPolarHBondContact O-CD1 3.32Å; P444-I448 WeakPolarHBondContact O-CG1 3.32Å; P444-I448 PolarHBondContact O-N 3.07Å
445	F	75.6	Confident	69.3	Low	104 Å²	104	76.4 Å²	76.4	46%	0.456	43%	0.428	S	S	.	.	H	α-helix	trans	-63.6	-42.8	178.5	-90.6	-78.5	0	0	0	112.4	T425 L441 A442 I443 I448 A449	T425-F445 HydrophobicContact CG2-CD2 4.32Å; T425-F445 HydrophobicContact CG2-CE2 3.88Å; L441-F445 HydrophobicContact CB-CD2 4.26Å; L441-F445 HydrophobicContact CD2-CD2 4.23Å; L441-F445 HydrophobicContact CD2-CE2 3.71Å; L441-F445 HydrophobicContact CG-CD2 4.29Å; L441-F445 HydrophobicContact CG-CE2 4.09Å; L441-F445 VanDerWaalsContact O-CD2 3.31Å; L441-F445 WeakPolarHBondContact O-CD2 3.26Å; L441-F445 PolarHBondContact O-N 3.38Å; L441-F445 VanDerWaalsContact O-N 3.15Å; A442-F445 PolarHBondContact O-N 3.07Å; I443-F445 VanDerWaalsContact C-N 3.34Å; I443-F445 PolarHBondContact O-N 3.38Å; F445-I448 PolarHBondContact O-N 3.43Å; F445-A449 WeakPolarHBondContact O-CB 3.32Å; F445-A449 PolarHBondContact O-N 2.7Å
446	A	76.3	Confident	70.3	Confident	56 Å²	56	75.9 Å²	75.9	46%	0.463	43%	0.425	S	S	.	.	H	α-helix	trans	-63.2	-42.9	176.2	0	0	0	0	0	111.7	A442 I443 A449 V450	A442-A446 WeakPolarHBondContact O-CB 3.41Å; A442-A446 PolarHBondContact O-N 2.82Å; I443-A446 PolarHBondContact O-N 3.33Å; A446-A449 PolarHBondContact O-N 2.84Å; A446-V450 WeakPolarHBondContact O-CG2 3.22Å; A446-V450 PolarHBondContact O-N 2.93Å
447	L	75.2	Confident	71	Confident	93 Å²	93	74.5 Å²	74.5	49%	0.487	42%	0.418	S	S	.	.	H	α-helix	trans	-63.6	-41.9	176.1	-71.1	174	0	0	0	112	I443 P444 A451	I443-L447 HydrophobicContact CG2-CD1 4.11Å; I443-L447 WeakPolarHBondContact O-CG 3.19Å; I443-L447 PolarHBondContact O-N 2.86Å; P444-L447 PolarHBondContact O-N 3.08Å; L447-A451 WeakPolarHBondContact O-CB 3.39Å; L447-A451 PolarHBondContact O-N 2.9Å
448	I	77	Confident	71.6	Confident	24 Å²	24	71.3 Å²	71.3	12%	0.123	40%	0.402	C	S	.	.	H	α-helix	trans	-62.4	-44.1	174.5	-70.9	163.6	0	0	0	110.7	I418 P444 F445 A451 A452	I418-I448 HydrophobicContact CG2-CG2 4.11Å; P444-I448 WeakPolarHBondContact O-CB 3.34Å; P444-I448 WeakPolarHBondContact O-CD1 3.32Å; P444-I448 WeakPolarHBondContact O-CG1 3.32Å; P444-I448 PolarHBondContact O-N 3.07Å; F445-I448 PolarHBondContact O-N 3.43Å; I448-A451 PolarHBondContact O-N 3.4Å; I448-A452 VanDerWaalsContact O-CB 3.29Å; I448-A452 WeakPolarHBondContact O-CB 3.48Å; I448-A452 PolarHBondContact O-N 3.45Å
449	A	75.8	Confident	72.1	Confident	57 Å²	57	65.6 Å²	65.6	47%	0.471	38%	0.382	S	S	.	.	H	α-helix	trans	-65	-44.2	179.6	0	0	0	0	0	112.1	F445 A446 A452 F453	F445-A449 WeakPolarHBondContact O-CB 3.32Å; F445-A449 PolarHBondContact O-N 2.7Å; A446-A449 PolarHBondContact O-N 2.84Å; A449-A452 PolarHBondContact O-N 3.09Å; A449-F453 WeakPolarHBondContact O-CB 3.05Å; A449-F453 PolarHBondContact O-N 3.23Å
450	V	76.6	Confident	72.8	Confident	86 Å²	86	67.9 Å²	67.9	52%	0.521	39%	0.387	S	S	.	.	H	α-helix	trans	-62.5	-46.1	174.7	171.3	0	0	0	0	110.4	A446 A452 F453 I454	A446-V450 WeakPolarHBondContact O-CG2 3.22Å; A446-V450 PolarHBondContact O-N 2.93Å; V450-A452 PolarHBondContact O-N 2.92Å; V450-F453 PolarHBondContact O-N 3.18Å; V450-I454 HydrophobicContact CG1-CD1 3.77Å; V450-I454 HydrophobicContact CG1-CG1 4.42Å; V450-I454 WeakPolarHBondContact O-CG1 3.22Å; V450-I454 PolarHBondContact O-N 3.04Å
451	A	74.6	Confident	73.2	Confident	10 Å²	10	72 Å²	72	8%	0.083	40%	0.399	C	S	.	.	H	α-helix	trans	-59.5	-45.7	176.1	0	0	0	0	0	111.4	I414 F417 I418 L447 I448 I454 A455	I414-A451 HydrophobicContact CG2-CB 3.83Å; I414-A451 WeakPolarHBondContact CG2-O 3.46Å; F417-A451 HydrophobicContact CD1-CB 4.18Å; I418-A451 HydrophobicContact CD1-CB 4.05Å; I418-A451 HydrophobicContact CG1-CB 3.56Å; L447-A451 WeakPolarHBondContact O-CB 3.39Å; L447-A451 PolarHBondContact O-N 2.9Å; I448-A451 PolarHBondContact O-N 3.4Å; A451-I454 PolarHBondContact O-N 3.09Å; A451-A455 WeakPolarHBondContact O-CB 3.01Å; A451-A455 PolarHBondContact O-N 2.83Å
452	A	75.4	Confident	73.4	Confident	37 Å²	37	72.3 Å²	72.3	31%	0.306	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-45.7	177.6	0	0	0	0	0	111.7	I418 I448 A449 V450 I454 A455 T456	I418-A452 HydrophobicContact CD1-CB 4.06Å; I448-A452 VanDerWaalsContact O-CB 3.29Å; I448-A452 WeakPolarHBondContact O-CB 3.48Å; I448-A452 PolarHBondContact O-N 3.45Å; A449-A452 PolarHBondContact O-N 3.09Å; V450-A452 PolarHBondContact O-N 2.92Å; A452-I454 VanDerWaalsContact C-N 3.35Å; A452-I454 PolarHBondContact O-N 3.03Å; A452-A455 WeakPolarHBondContact O-CB 3.22Å; A452-A455 PolarHBondContact O-N 2.95Å; A452-T456 PolarHBondContact O-N 2.9Å; A452-T456 PolarHBondContact O-OG1 3.09Å
453	F	75.2	Confident	73	Confident	156 Å²	156	75.3 Å²	75.3	68%	0.684	40%	0.399	S	S	*	.	H	α-helix	trans	-59	-45.7	176.2	180	-96.1	0	0	0	111.9	A449 V450 T456 A457	A449-F453 WeakPolarHBondContact O-CB 3.05Å; A449-F453 PolarHBondContact O-N 3.23Å; V450-F453 PolarHBondContact O-N 3.18Å; F453-T456 PolarHBondContact O-N 3.29Å; F453-A457 WeakPolarHBondContact O-CB 3.25Å; F453-A457 PolarHBondContact O-N 3.14Å
454	I	72.8	Confident	72.8	Confident	69 Å²	69	76.6 Å²	76.6	35%	0.354	40%	0.402	S	S	.	.	H	α-helix	trans	-61.4	-48.4	175.6	-63.1	167	0	0	0	109.3	I414 V450 A451 A452 T456 A457 Y458	I414-I454 HydrophobicContact CD1-CB 4.24Å; I414-I454 HydrophobicContact CD1-CG2 3.49Å; I414-I454 VanDerWaalsContact CD1-CG2 3.49Å; V450-I454 HydrophobicContact CG1-CD1 3.77Å; V450-I454 HydrophobicContact CG1-CG1 4.42Å; V450-I454 WeakPolarHBondContact O-CG1 3.22Å; V450-I454 PolarHBondContact O-N 3.04Å; A451-I454 PolarHBondContact O-N 3.09Å; A452-I454 VanDerWaalsContact C-N 3.35Å; A452-I454 PolarHBondContact O-N 3.03Å; I454-T456 PolarHBondContact O-N 3.12Å; I454-A457 PolarHBondContact O-N 2.01Å; I454-A457 VanDerWaalsContact O-N 3.15Å; I454-Y458 HydrophobicContact CG2-CD2 3.66Å; I454-Y458 HydrophobicContact CG2-CE2 3.56Å; I454-Y458 VanDerWaalsContact O-CD2 3.28Å; I454-Y458 WeakPolarHBondContact O-CD2 3.01Å; I454-Y458 PolarHBondContact O-N 3.29Å
455	A	71.9	Confident	72.6	Confident	14 Å²	14	77.1 Å²	77.1	12%	0.116	40%	0.402	C	S	.	.	H	α-helix	trans	-55.6	-48.2	178.2	0	0	0	0	0	111.9	I414 I418 A451 A452 A457 Y458 V459	I414-A455 HydrophobicContact CB-CB 4.43Å; I414-A455 HydrophobicContact CG2-CB 3.81Å; I418-A455 HydrophobicContact CD1-CB 4.41Å; A451-A455 WeakPolarHBondContact O-CB 3.01Å; A451-A455 PolarHBondContact O-N 2.83Å; A452-A455 WeakPolarHBondContact O-CB 3.22Å; A452-A455 PolarHBondContact O-N 2.95Å; A455-A457 VanDerWaalsContact C-N 3.35Å; A455-A457 PolarHBondContact O-N 2.54Å; A455-Y458 PolarHBondContact O-N 3.07Å; A455-V459 WeakPolarHBondContact O-CB 2.95Å; A455-V459 VanDerWaalsContact O-CG2 3.3Å; A455-V459 WeakPolarHBondContact O-CG2 3.36Å; A455-V459 PolarHBondContact O-N 2.8Å
456	T	73.3	Confident	71.3	Confident	94 Å²	94	73.6 Å²	73.6	58%	0.577	39%	0.39	S	S	*	.	H	α-helix	trans	-60.9	-41.8	177.5	-54.8	0	0	0	0	111.9	A452 F453 I454 Y458 V459 K460	A452-T456 PolarHBondContact O-N 2.9Å; A452-T456 PolarHBondContact O-OG1 3.09Å; F453-T456 PolarHBondContact O-N 3.29Å; I454-T456 PolarHBondContact O-N 3.12Å; T456-Y458 PolarHBondContact O-N 2.95Å; T456-V459 PolarHBondContact O-N 2.9Å; T456-K460 WeakPolarHBondContact O-CB 3.49Å; T456-K460 PolarHBondContact O-N 3.5Å
457	A	73.1	Confident	70.4	Confident	41 Å²	41	76.8 Å²	76.8	34%	0.339	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-41.5	177.5	0	0	0	0	0	112.2	F453 I454 A455 K461	F453-A457 WeakPolarHBondContact O-CB 3.25Å; F453-A457 PolarHBondContact O-N 3.14Å; I454-A457 PolarHBondContact O-N 2.01Å; I454-A457 VanDerWaalsContact O-N 3.15Å; A455-A457 VanDerWaalsContact C-N 3.35Å; A455-A457 PolarHBondContact O-N 2.54Å; A457-K461 WeakPolarHBondContact O-CG 3.03Å; A457-K461 PolarHBondContact O-N 2.73Å; A457-K461 VanDerWaalsContact O-N 3.1Å
458	Y	72.6	Confident	69.5	Low	82 Å²	82	74.8 Å²	74.8	32%	0.322	39%	0.385	S	S	.	.	H	α-helix	trans	-69.9	-41.5	175.8	-85.5	-97.2	0	0	0	112.4	Y407 P410 T411 I454 A455 T456 K460 K461 W462	Y407-Y458 AromaticContact CD1-CD1 3.77Å; Y407-Y458 HydrophobicContact CD1-CD1 3.77Å; Y407-Y458 AromaticContact CD1-CE1 3.92Å; Y407-Y458 HydrophobicContact CD1-CE1 3.92Å; Y407-Y458 HydrophobicContact CG-CD1 4.45Å; P410-Y458 HydrophobicContact CB-CE1 4.22Å; P410-Y458 HydrophobicContact CG-CD1 4.33Å; P410-Y458 HydrophobicContact CG-CE1 3.89Å; T411-Y458 HydrophobicContact CG2-CG 4.11Å; I454-Y458 HydrophobicContact CG2-CD2 3.66Å; I454-Y458 HydrophobicContact CG2-CE2 3.56Å; I454-Y458 VanDerWaalsContact O-CD2 3.28Å; I454-Y458 WeakPolarHBondContact O-CD2 3.01Å; I454-Y458 PolarHBondContact O-N 3.29Å; A455-Y458 PolarHBondContact O-N 3.07Å; T456-Y458 PolarHBondContact O-N 2.95Å; Y458-K460 VanDerWaalsContact C-N 3.34Å; Y458-K460 PolarHBondContact O-N 3.13Å; Y458-K461 PolarHBondContact O-N 2.87Å; Y458-W462 WeakPolarHBondContact O-CB 3.14Å; Y458-W462 PolarHBondContact O-N 3.13Å
459	V	71.4	Confident	68.2	Low	57 Å²	57	76.3 Å²	76.3	35%	0.345	39%	0.392	S	S	.	.	H	α-helix	trans	-61.7	-42.8	175.8	169	0	0	0	0	110.7	T411 A455 T456 K461 W462 F463	T411-V459 HydrophobicContact CG2-CG2 3.96Å; A455-V459 WeakPolarHBondContact O-CB 2.95Å; A455-V459 VanDerWaalsContact O-CG2 3.3Å; A455-V459 WeakPolarHBondContact O-CG2 3.36Å; A455-V459 PolarHBondContact O-N 2.8Å; T456-V459 PolarHBondContact O-N 2.9Å; V459-K461 PolarHBondContact O-N 3.44Å; V459-W462 WeakPolarHBondContact O-CB 3.44Å; V459-W462 PolarHBondContact O-N 3.27Å; V459-F463 HydrophobicContact CG1-CD2 3.52Å; V459-F463 HydrophobicContact CG1-CE2 3.37Å; V459-F463 VanDerWaalsContact O-CD2 3.28Å; V459-F463 WeakPolarHBondContact O-CD2 3.44Å; V459-F463 PolarHBondContact O-N 3.04Å
460	K	72.3	Confident	66.8	Low	161 Å²	161	80.1 Å²	80.1	70%	0.7	41%	0.405	S	S	*	.	H	α-helix	trans	-61.2	-44.3	175.6	-173.4	175.9	-179.4	177.6	0	111.9	T456 Y458 W462 F463 H464	T456-K460 WeakPolarHBondContact O-CB 3.49Å; T456-K460 PolarHBondContact O-N 3.5Å; Y458-K460 VanDerWaalsContact C-N 3.34Å; Y458-K460 PolarHBondContact O-N 3.13Å; K460-W462 VanDerWaalsContact C-N 3.32Å; K460-W462 PolarHBondContact O-N 2.91Å; K460-F463 PolarHBondContact O-N 3.46Å; K460-H464 PolarHBondContact O-N 2.96Å
461	K	71.3	Confident	65	Low	124 Å²	124	82.5 Å²	82.5	54%	0.539	42%	0.424	S	S	.	.	H	α-helix	trans	-62.3	-39.6	174.1	-77.8	-173.3	177.9	-174.8	0	112.2	Y407 A457 Y458 V459 K465	Y407-K461 HydrophobicContact CE1-CD 4.29Å; A457-K461 WeakPolarHBondContact O-CG 3.03Å; A457-K461 PolarHBondContact O-N 2.73Å; A457-K461 VanDerWaalsContact O-N 3.1Å; Y458-K461 PolarHBondContact O-N 2.87Å; V459-K461 PolarHBondContact O-N 3.44Å; K461-K465 PolarHBondContact O-N 3.44Å; K461-K465 VanDerWaalsContact O-N 3.12Å
462	W	67.9	Low	64.5	Low	65 Å²	65	86.1 Å²	86.1	25%	0.246	44%	0.441	C	S	.	.	H	α-helix	trans	-62.8	-50.1	175.5	174.8	71.6	0	0	0	112.1	A404 L408 Y458 V459 K460 H464 K465 S466	A404-W462 VanDerWaalsContact O-CD1 3.23Å; L408-W462 VanDerWaalsContact CD1-CD1 3.49Å; L408-W462 HydrophobicContact CD1-CD2 4.21Å; L408-W462 HydrophobicContact CD1-CG 4.16Å; L408-W462 HydrophobicContact CD1-CZ2 4.11Å; L408-W462 HydrophobicContact CG-CD2 4.22Å; L408-W462 HydrophobicContact CG-CG 3.96Å; Y458-W462 WeakPolarHBondContact O-CB 3.14Å; Y458-W462 PolarHBondContact O-N 3.13Å; V459-W462 WeakPolarHBondContact O-CB 3.44Å; V459-W462 PolarHBondContact O-N 3.27Å; K460-W462 VanDerWaalsContact C-N 3.32Å; K460-W462 PolarHBondContact O-N 2.91Å; W462-H464 VanDerWaalsContact C-N 3.32Å; W462-H464 PolarHBondContact O-N 2.82Å; W462-K465 PolarHBondContact O-N 3.1Å; W462-S466 VanDerWaalsContact O-CB 3.32Å; W462-S466 WeakPolarHBondContact O-CB 3.41Å; W462-S466 PolarHBondContact O-N 3.14Å
463	F	62.5	Low	64	Low	121 Å²	121	88.7 Å²	88.7	53%	0.531	45%	0.448	S	S	.	.	H	α-helix	trans	-57.7	-45.2	178.3	-87	-66.5	0	0	0	112.1	V459 K460 K465 S466 H467	V459-F463 HydrophobicContact CG1-CD2 3.52Å; V459-F463 HydrophobicContact CG1-CE2 3.37Å; V459-F463 VanDerWaalsContact O-CD2 3.28Å; V459-F463 WeakPolarHBondContact O-CD2 3.44Å; V459-F463 PolarHBondContact O-N 3.04Å; K460-F463 PolarHBondContact O-N 3.46Å; F463-K465 PolarHBondContact O-N 2.87Å; F463-S466 PolarHBondContact O-N 3.37Å; F463-H467 WeakPolarHBondContact O-CB 3.48Å; F463-H467 PolarHBondContact O-N 3.1Å
464	H	67.3	Low	63.3	Low	132 Å²	132	84.9 Å²	84.9	61%	0.611	44%	0.435	S	S	*	.	H	α-helix	trans	-57.7	-50.3	177.4	-172.7	52.3	0	0	0	111.1	K460 W462 S466 H467 D468	K460-H464 PolarHBondContact O-N 2.96Å; W462-H464 VanDerWaalsContact C-N 3.32Å; W462-H464 PolarHBondContact O-N 2.82Å; H464-S466 PolarHBondContact O-N 2.61Å; H464-H467 PolarHBondContact O-N 2.9Å; H464-D468 PolarHBondContact O-N 3.03Å
465	K	65.6	Low	62.8	Low	37 Å²	37	85.9 Å²	85.9	16%	0.161	44%	0.439	C	S	.	.	H	α-helix	trans	-70.6	-29.2	-179.3	-153.1	70.9	175	-177.5	0	113.4	E387 M403 A404 K461 W462 F463 I469	E387-K465 IonicContact OE1-NZ 2.77Å; E387-K465 PolarHBondContact OE1-NZ 3.4Å; M403-K465 HydrophobicContact CB-CG 4.46Å; A404-K465 HydrophobicContact CB-CB 4.41Å; K461-K465 PolarHBondContact O-N 3.44Å; K461-K465 VanDerWaalsContact O-N 3.12Å; W462-K465 PolarHBondContact O-N 3.1Å; F463-K465 PolarHBondContact O-N 2.87Å; K465-I469 WeakPolarHBondContact O-CG1 3.26Å
466	S	50.1	Low	62.2	Low	30 Å²	30	90.4 Å²	90.4	21%	0.21	46%	0.46	C	S	.	.	H	α-helix	trans	-75.5	-33.2	177.7	-172	0	0	0	0	112.4	W462 F463 H464 D468 I469	W462-S466 VanDerWaalsContact O-CB 3.32Å; W462-S466 WeakPolarHBondContact O-CB 3.41Å; W462-S466 PolarHBondContact O-N 3.14Å; F463-S466 PolarHBondContact O-N 3.37Å; H464-S466 PolarHBondContact O-N 2.61Å; S466-D468 VanDerWaalsContact C-N 3.31Å; S466-I469 WeakPolarHBondContact O-CB 3.42Å; S466-I469 PolarHBondContact O-N 3.35Å
467	H	56.1	Low	61.5	Low	122 Å²	122	90.1 Å²	90.1	57%	0.565	45%	0.452	S	S	*	.	H	α-helix	trans	-65.2	-39.7	175.3	-164.6	-73	0	0	0	110.6	F463 H464 I469 N470 C471	F463-H467 WeakPolarHBondContact O-CB 3.48Å; F463-H467 PolarHBondContact O-N 3.1Å; H464-H467 PolarHBondContact O-N 2.9Å; H467-I469 PolarHBondContact O-N 3.11Å; H467-I469 VanDerWaalsContact O-N 3.08Å; H467-N470 PolarHBondContact O-N 2.78Å; H467-N470 VanDerWaalsContact O-N 3.09Å; H467-C471 PolarHBondContact CE1-SG 2.92Å; H467-C471 PolarHBondContact ND1-SG 3.46Å; H467-C471 PolarHBondContact O-N 3.4Å
468	D	56.4	Low	60.6	Low	52 Å²	52	93.6 Å²	93.6	28%	0.278	46%	0.46	S	S	.	.	H	α-helix	trans	-64.9	-8.3	175.4	-60.7	-18.1	0	0	0	114.8	K400 H464 S466	K400-D468 HydrophobicContact CD-CB 4.33Å; K400-D468 PolarHBondContact NZ-O 3.3Å; H464-D468 PolarHBondContact O-N 3.03Å; S466-D468 VanDerWaalsContact C-N 3.31Å
469	I	50.3	Low	59.7	Low	55 Å²	55	94.5 Å²	94.5	28%	0.282	47%	0.471	S	S	.	.	H	α-helix	trans	-89.4	-30.6	175.1	-63.6	168.2	0	0	0	111	K400 V401 A404 K465 S466 H467	K400-I469 HydrophobicContact CB-CD1 4.18Å; K400-I469 HydrophobicContact CB-CG1 3.72Å; K400-I469 HydrophobicContact CD-CG1 4.42Å; V401-I469 HydrophobicContact CG2-CD1 3.96Å; V401-I469 HydrophobicContact CG2-CG2 4.48Å; A404-I469 HydrophobicContact CB-CD1 4.38Å; K465-I469 WeakPolarHBondContact O-CG1 3.26Å; S466-I469 WeakPolarHBondContact O-CB 3.42Å; S466-I469 PolarHBondContact O-N 3.35Å; H467-I469 PolarHBondContact O-N 3.11Å; H467-I469 VanDerWaalsContact O-N 3.08Å
470	N	45.7	Very low	58.7	Low	138 Å²	138	97.7 Å²	97.7	74%	0.738	48%	0.481	S	S	*	.	H	α-helix	trans	-95.5	-13.2	-174.7	-69.1	-27.4	0	0	0	113.4	H467	H467-N470 PolarHBondContact O-N 2.78Å; H467-N470 VanDerWaalsContact O-N 3.09Å
471	C	39.3	Very low	57.5	Low	135 Å²	135	91.9 Å²	91.9	91%	0.912	46%	0.461	S	S	*	.			trans	-92.9	0	166.5	-63	0	0	0	0	109.4	H467	H467-C471 PolarHBondContact CE1-SG 2.92Å; H467-C471 PolarHBondContact ND1-SG 3.46Å; H467-C471 PolarHBondContact O-N 3.4Å

Retrieved 471 of 471 residues in 368 ms (Link to these results)

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