A0A044RCN8_ONCVO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A044RCN8, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 149 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	46.6	Very low	57.1	Low	248 Å²	248	104.6 Å²	104.6	100%	1.222	58%	0.581	S	S	*	*				0	122.1	0	-92.9	169.5	172.7	0	0	107.5
2	N	49.7	Very low	57.2	Low	113 Å²	113	108.1 Å²	108.1	60%	0.604	59%	0.586	S	S	*	*			trans	-84.4	131.4	-169.8	-133.1	-12.4	0	0	0	109.9	S4 D5	N2-S4 PolarHBondContact O-N 2.81Å; N2-S4 VanDerWaalsContact O-N 3.11Å; N2-D5 PolarHBondContact O-N 3.01Å; N2-D5 VanDerWaalsContact O-N 3.08Å
3	L	53.1	Low	57.6	Low	142 Å²	142	115.4 Å²	115.4	74%	0.743	60%	0.6	S	S	*	*	H	α-helix	trans	-59.4	-25.1	-176.5	-150.9	83.2	0	0	0	112.4	D5 H7	L3-D5 PolarHBondContact O-N 3.26Å; L3-H7 PolarHBondContact O-N 2.98Å
4	S	57	Low	57.8	Low	68 Å²	68	115.6 Å²	115.6	48%	0.476	60%	0.601	S	S	.	*	H	α-helix	trans	-63.6	-35	176.3	55.3	0	0	0	0	113.7	N2 S8	N2-S4 PolarHBondContact O-N 2.81Å; N2-S4 VanDerWaalsContact O-N 3.11Å; S4-S8 WeakPolarHBondContact O-CB 3.34Å; S4-S8 PolarHBondContact O-N 2.85Å; S4-S8 VanDerWaalsContact O-N 3.12Å
5	D	55.4	Low	57.6	Low	108 Å²	108	113.3 Å²	113.3	58%	0.578	59%	0.589	S	S	*	*	H	α-helix	trans	-76.1	-34.4	-174.8	-62.1	-28.8	0	0	0	111.3	N2 L3 S9	N2-D5 PolarHBondContact O-N 3.01Å; N2-D5 VanDerWaalsContact O-N 3.08Å; L3-D5 PolarHBondContact O-N 3.26Å; D5-S9 PolarHBondContact O-N 2.75Å; D5-S9 VanDerWaalsContact O-N 3.12Å
6	V	58.7	Low	57.2	Low	88 Å²	88	114.4 Å²	114.4	53%	0.533	59%	0.592	S	S	.	*	H	α-helix	trans	-66.8	-44.1	176.9	-177.3	0	0	0	0	110.7	S9 S10	V6-S9 PolarHBondContact O-N 3.26Å; V6-S9 PolarHBondContact O-OG 3.43Å; V6-S10 PolarHBondContact O-N 2.78Å; V6-S10 VanDerWaalsContact O-N 3.14Å; V6-S10 PolarHBondContact O-OG 3.26Å
7	H	55.3	Low	56.9	Low	119 Å²	119	112.3 Å²	112.3	55%	0.551	59%	0.587	S	S	*	*	H	α-helix	trans	-65.4	-43.9	177.1	-99.1	-83.3	0	0	0	112.6	L3 S9 S10 I11	L3-H7 PolarHBondContact O-N 2.98Å; H7-S9 VanDerWaalsContact C-N 3.34Å; H7-S9 PolarHBondContact O-N 3.43Å; H7-S10 PolarHBondContact O-N 3.47Å; H7-I11 WeakPolarHBondContact O-CG1 3.38Å; H7-I11 PolarHBondContact O-N 3.04Å
8	S	61	Low	56.6	Low	59 Å²	59	116.2 Å²	116.2	41%	0.413	59%	0.593	S	S	.	*	H	α-helix	trans	-62.2	-40.6	178.9	-171.3	0	0	0	0	111.9	S4 K12	S4-S8 WeakPolarHBondContact O-CB 3.34Å; S4-S8 PolarHBondContact O-N 2.85Å; S4-S8 VanDerWaalsContact O-N 3.12Å; S8-K12 WeakPolarHBondContact O-CB 3.36Å; S8-K12 WeakPolarHBondContact O-CG 3.45Å; S8-K12 PolarHBondContact O-N 3.47Å
9	S	63.6	Low	56.4	Low	60 Å²	60	114.3 Å²	114.3	42%	0.42	58%	0.583	S	S	.	*	H	α-helix	trans	-66.7	-37.3	176.3	82	0	0	0	0	113.1	D5 V6 H7 R13	D5-S9 PolarHBondContact O-N 2.75Å; D5-S9 VanDerWaalsContact O-N 3.12Å; V6-S9 PolarHBondContact O-N 3.26Å; V6-S9 PolarHBondContact O-OG 3.43Å; H7-S9 VanDerWaalsContact C-N 3.34Å; H7-S9 PolarHBondContact O-N 3.43Å; S9-R13 WeakPolarHBondContact O-CB 3.4Å; S9-R13 PolarHBondContact O-N 3.46Å
10	S	64	Low	56.1	Low	57 Å²	57	111.5 Å²	111.5	40%	0.399	57%	0.574	S	S	.	*	H	α-helix	trans	-69.9	-42.1	-179.4	-59.1	0	0	0	0	111.2	V6 H7 R13 L14	V6-S10 PolarHBondContact O-N 2.78Å; V6-S10 VanDerWaalsContact O-N 3.14Å; V6-S10 PolarHBondContact O-OG 3.26Å; H7-S10 PolarHBondContact O-N 3.47Å; S10-R13 PolarHBondContact O-N 2.86Å; S10-L14 WeakPolarHBondContact O-CG 3.48Å; S10-L14 PolarHBondContact O-N 3.28Å; S10-L14 VanDerWaalsContact O-N 3.09Å
11	I	63.8	Low	55.7	Low	89 Å²	89	113.4 Å²	113.4	46%	0.456	58%	0.575	S	S	.	*	H	α-helix	trans	-65.9	-45.4	175.6	-67.5	171.9	0	0	0	110.3	H7 R13 L14 I15	H7-I11 WeakPolarHBondContact O-CG1 3.38Å; H7-I11 PolarHBondContact O-N 3.04Å; I11-R13 VanDerWaalsContact C-N 3.31Å; I11-R13 PolarHBondContact O-N 2.94Å; I11-L14 PolarHBondContact O-N 3.3Å; I11-L14 VanDerWaalsContact O-N 3.07Å; I11-I15 HydrophobicContact CG2-CD1 3.39Å; I11-I15 HydrophobicContact CG2-CG1 4.03Å; I11-I15 WeakPolarHBondContact O-CB 3.4Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.18Å; I11-I15 PolarHBondContact O-N 3.02Å
12	K	57.8	Low	56	Low	146 Å²	146	108 Å²	108	64%	0.635	55%	0.546	S	S	*	.	H	α-helix	trans	-58.7	-42.3	175.3	-77.2	-176.7	179.8	-175.8	0	111.9	S8 L14 I15 M16	S8-K12 WeakPolarHBondContact O-CB 3.36Å; S8-K12 WeakPolarHBondContact O-CG 3.45Å; S8-K12 PolarHBondContact O-N 3.47Å; K12-L14 VanDerWaalsContact C-N 3.28Å; K12-L14 PolarHBondContact O-N 3.42Å; K12-I15 PolarHBondContact O-N 3Å; K12-M16 WeakPolarHBondContact O-CB 3.3Å; K12-M16 PolarHBondContact O-N 3.48Å
13	R	63	Low	56	Low	203 Å²	203	106.6 Å²	106.6	77%	0.766	54%	0.539	S	S	*	.	H	α-helix	trans	-63.9	-27.6	175.1	-85.4	-172.1	-175.3	175.8	2.7	114.1	S9 S10 I11 P17	S9-R13 WeakPolarHBondContact O-CB 3.4Å; S9-R13 PolarHBondContact O-N 3.46Å; S10-R13 PolarHBondContact O-N 2.86Å; I11-R13 VanDerWaalsContact C-N 3.31Å; I11-R13 PolarHBondContact O-N 2.94Å; R13-P17 WeakPolarHBondContact O-CD 3.45Å; R13-P17 WeakPolarHBondContact O-CG 3.46Å
14	L	60.7	Low	56	Low	118 Å²	118	106.1 Å²	106.1	62%	0.618	53%	0.533	S	S	*	.	H	α-helix	trans	-86.1	-32.8	176.7	-73.6	166.1	0	0	0	112.5	S10 I11 K12	S10-L14 WeakPolarHBondContact O-CG 3.48Å; S10-L14 PolarHBondContact O-N 3.28Å; S10-L14 VanDerWaalsContact O-N 3.09Å; I11-L14 PolarHBondContact O-N 3.3Å; I11-L14 VanDerWaalsContact O-N 3.07Å; K12-L14 VanDerWaalsContact C-N 3.28Å; K12-L14 PolarHBondContact O-N 3.42Å
15	I	54	Low	55.6	Low	82 Å²	82	107 Å²	107	42%	0.421	53%	0.529	S	S	.	.	H	α-helix	trans	-77.9	-41.8	-179.9	-67.1	177.7	0	0	0	111.1	I11 K12 R18 I19	I11-I15 HydrophobicContact CG2-CD1 3.39Å; I11-I15 HydrophobicContact CG2-CG1 4.03Å; I11-I15 WeakPolarHBondContact O-CB 3.4Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.18Å; I11-I15 PolarHBondContact O-N 3.02Å; K12-I15 PolarHBondContact O-N 3Å; I15-R18 WeakPolarHBondContact O-CA 3.28Å; I15-R18 WeakPolarHBondContact O-CB 3.29Å; I15-R18 PolarHBondContact O-N 3.44Å; I15-I19 HydrophobicContact CG2-CD1 3.41Å; I15-I19 VanDerWaalsContact CG2-CD1 3.41Å; I15-I19 HydrophobicContact CG2-CG1 3.82Å; I15-I19 WeakPolarHBondContact O-CG1 3.28Å; I15-I19 PolarHBondContact O-N 2.75Å
16	M	52.1	Low	55.4	Low	131 Å²	131	108.8 Å²	108.8	65%	0.645	54%	0.535	S	S	*	.	H	α-helix	trans	-57.7	-48.3	-176	-130.4	-171.8	84.1	0	0	113	K12 R18 I19 C20	K12-M16 WeakPolarHBondContact O-CB 3.3Å; K12-M16 PolarHBondContact O-N 3.48Å; M16-R18 VanDerWaalsContact C-N 3.27Å; M16-R18 PolarHBondContact O-N 2.62Å; M16-I19 PolarHBondContact O-N 3.46Å; M16-C20 WeakPolarHBondContact O-CB 3.4Å; M16-C20 PolarHBondContact O-N 2.99Å; M16-C20 PolarHBondContact O-SG 2.98Å
17	P	52.2	Low	55	Low	78 Å²	78	112.6 Å²	112.6	51%	0.506	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-34.2	175.8	-20.5	32.5	0	0	0	112.2	R13 Y21	R13-P17 WeakPolarHBondContact O-CD 3.45Å; R13-P17 WeakPolarHBondContact O-CG 3.46Å; P17-Y21 VanDerWaalsContact O-CB 3.29Å; P17-Y21 WeakPolarHBondContact O-CB 3.48Å; P17-Y21 PolarHBondContact O-N 3.41Å
18	R	50.6	Low	54.7	Low	183 Å²	183	114.2 Å²	114.2	69%	0.691	55%	0.554	S	S	*	*	H	α-helix	trans	-68.4	-39.8	176.8	-85.5	-178.7	164	155.7	-3	112.6	I15 M16 Y21 Q22	I15-R18 WeakPolarHBondContact O-CA 3.28Å; I15-R18 WeakPolarHBondContact O-CB 3.29Å; I15-R18 PolarHBondContact O-N 3.44Å; M16-R18 VanDerWaalsContact C-N 3.27Å; M16-R18 PolarHBondContact O-N 2.62Å; R18-Y21 PolarHBondContact O-N 3.24Å; R18-Q22 WeakPolarHBondContact O-CG 3.41Å; R18-Q22 PolarHBondContact O-N 3.28Å; R18-Q22 VanDerWaalsContact O-N 3.1Å
19	I	53.6	Low	54.1	Low	80 Å²	80	120 Å²	120	41%	0.41	58%	0.575	S	S	.	*	H	α-helix	trans	-69.9	-44.4	175.3	-64.1	177.2	0	0	0	109.8	I15 M16 Y21 Q22 D23	I15-I19 HydrophobicContact CG2-CD1 3.41Å; I15-I19 VanDerWaalsContact CG2-CD1 3.41Å; I15-I19 HydrophobicContact CG2-CG1 3.82Å; I15-I19 WeakPolarHBondContact O-CG1 3.28Å; I15-I19 PolarHBondContact O-N 2.75Å; M16-I19 PolarHBondContact O-N 3.46Å; I19-Y21 VanDerWaalsContact C-N 3.27Å; I19-Y21 PolarHBondContact O-N 3.48Å; I19-Q22 CarbonylContact O-C 3.52Å; I19-Q22 WeakPolarHBondContact O-CA 3.45Å; I19-Q22 PolarHBondContact O-N 3.04Å; I19-D23 WeakPolarHBondContact CG2-OD2 3.49Å; I19-D23 PolarHBondContact O-N 2.9Å
20	C	49.6	Very low	53.7	Low	57 Å²	57	121.8 Å²	121.8	39%	0.385	58%	0.578	S	S	.	*	H	α-helix	trans	-58.6	-41.3	174.5	-67.8	0	0	0	0	111.4	M16 Q22 D23 E24	M16-C20 WeakPolarHBondContact O-CB 3.4Å; M16-C20 PolarHBondContact O-N 2.99Å; M16-C20 PolarHBondContact O-SG 2.98Å; C20-Q22 PolarHBondContact O-N 3.04Å; C20-D23 PolarHBondContact O-N 3.45Å; C20-E24 VanDerWaalsContact O-CB 3.28Å; C20-E24 WeakPolarHBondContact O-CB 3.47Å; C20-E24 VanDerWaalsContact O-CG 3.22Å; C20-E24 WeakPolarHBondContact O-CG 3.36Å; C20-E24 PolarHBondContact O-N 2.78Å
21	Y	48.6	Very low	53.4	Low	152 Å²	152	126.6 Å²	126.6	60%	0.596	59%	0.592	S	S	*	*	H	α-helix	trans	-66.7	-23.8	175.7	-146	-92.2	0	0	0	113.4	P17 R18 I19 Q25	P17-Y21 VanDerWaalsContact O-CB 3.29Å; P17-Y21 WeakPolarHBondContact O-CB 3.48Å; P17-Y21 PolarHBondContact O-N 3.41Å; R18-Y21 PolarHBondContact O-N 3.24Å; I19-Y21 VanDerWaalsContact C-N 3.27Å; I19-Y21 PolarHBondContact O-N 3.48Å; Y21-Q25 WeakPolarHBondContact O-CG 3.44Å
22	Q	52.5	Low	53.4	Low	134 Å²	134	126.4 Å²	126.4	63%	0.626	60%	0.596	S	S	*	*	H	α-helix	trans	-88.7	-34.2	175.8	-76.4	179.9	-46.4	0	0	112.8	R18 I19 C20 Q25 Q26	R18-Q22 WeakPolarHBondContact O-CG 3.41Å; R18-Q22 PolarHBondContact O-N 3.28Å; R18-Q22 VanDerWaalsContact O-N 3.1Å; I19-Q22 CarbonylContact O-C 3.52Å; I19-Q22 WeakPolarHBondContact O-CA 3.45Å; I19-Q22 PolarHBondContact O-N 3.04Å; C20-Q22 PolarHBondContact O-N 3.04Å; Q22-Q25 WeakPolarHBondContact O-CB 3.3Å; Q22-Q25 PolarHBondContact O-N 3.16Å; Q22-Q26 PolarHBondContact O-N 2.9Å
23	D	49.5	Very low	54.3	Low	85 Å²	85	127.6 Å²	127.6	46%	0.455	60%	0.602	S	S	.	*	H	α-helix	trans	-77.7	-35.1	178.3	-76	-15.7	0	0	0	111.5	I19 C20 Q25 Q26 Q27	I19-D23 WeakPolarHBondContact CG2-OD2 3.49Å; I19-D23 PolarHBondContact O-N 2.9Å; C20-D23 PolarHBondContact O-N 3.45Å; D23-Q25 PolarHBondContact O-N 2.79Å; D23-Q26 PolarHBondContact O-N 2.81Å; D23-Q27 PolarHBondContact O-N 2.91Å
24	E	52.9	Low	55.5	Low	131 Å²	131	121.1 Å²	121.1	61%	0.612	59%	0.585	S	S	*	*	H	α-helix	trans	-62.6	-25.2	170.1	-72.3	176.9	157.2	0	0	111.8	C20	C20-E24 VanDerWaalsContact O-CB 3.28Å; C20-E24 WeakPolarHBondContact O-CB 3.47Å; C20-E24 VanDerWaalsContact O-CG 3.22Å; C20-E24 WeakPolarHBondContact O-CG 3.36Å; C20-E24 PolarHBondContact O-N 2.78Å
25	Q	49.5	Very low	56.9	Low	86 Å²	86	119.4 Å²	119.4	40%	0.402	58%	0.581	S	S	.	*	H	α-helix	trans	-74.6	-26.5	172.8	-66.8	-97.3	-32	0	0	113.1	Y21 Q22 D23 R90	Y21-Q25 WeakPolarHBondContact O-CG 3.44Å; Q22-Q25 WeakPolarHBondContact O-CB 3.3Å; Q22-Q25 PolarHBondContact O-N 3.16Å; D23-Q25 PolarHBondContact O-N 2.79Å; Q25-R90 VanDerWaalsContact NE2-NH1 3.15Å; Q25-R90 VanDerWaalsContact OE1-NH2 3.15Å
26	Q	51.1	Low	58.8	Low	147 Å²	147	117.9 Å²	117.9	69%	0.687	57%	0.573	S	S	*	*	H	α-helix	trans	-80.6	-28.2	-179.7	-102.3	-174.4	1.4	0	0	113	Q22 D23	Q22-Q26 PolarHBondContact O-N 2.9Å; D23-Q26 PolarHBondContact O-N 2.81Å
27	Q	48.8	Very low	60.9	Low	168 Å²	168	117.2 Å²	117.2	79%	0.785	57%	0.571	S	S	*	*	S	Bend	trans	-84.7	-8	-172.8	-69.8	-170.6	-12.2	0	0	115.2	D23	D23-Q27 PolarHBondContact O-N 2.91Å
28	H	50.7	Low	62.9	Low	152 Å²	152	114 Å²	114	70%	0.704	55%	0.549	S	S	*	.			trans	-111.6	66.6	170.4	-67.7	-67.4	0	0	0	110.7	I30	H28-I30 PolarHBondContact O-N 2.93Å
29	E	47.9	Very low	65	Low	182 Å²	182	106 Å²	106	85%	0.85	52%	0.522	S	S	*	.			trans	-66.6	63	160.4	-83	-172.3	152.6	0	0	110.4	K31	E29-K31 PolarHBondContact O-N 3.04Å
30	I	55.4	Low	67	Low	97 Å²	97	102.2 Å²	102.2	50%	0.497	50%	0.502	S	S	.	.			trans	-60.1	120	145.5	-60.2	173.1	0	0	0	103.3	H28 V34	H28-I30 PolarHBondContact O-N 2.93Å; I30-V34 HydrophobicContact CG2-CB 4.26Å
31	K	57.3	Low	69.1	Low	157 Å²	157	100.2 Å²	100.2	68%	0.683	49%	0.487	S	S	*	.			trans	-35.2	116.8	175.7	-80.8	178	-179.9	177	0	107.9	E29 F33 V34	E29-K31 PolarHBondContact O-N 3.04Å; K31-F33 PolarHBondContact O-N 2.97Å; K31-V34 HydrophobicContact CB-CG2 3.68Å; K31-V34 HydrophobicContact CD-CG2 4.28Å; K31-V34 PolarHBondContact O-N 3.2Å
32	P	64.6	Low	71.3	Confident	85 Å²	85	93 Å²	93	55%	0.552	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-10.6	-164.8	17	-30	0	0	0	113.9	T85	P32-T85 WeakPolarHBondContact O-CB 2.97Å
33	F	76	Confident	73.2	Confident	172 Å²	172	86.6 Å²	86.6	75%	0.754	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	2.3	-179.4	-55.3	-73.3	0	0	0	114.8	K31 P35	K31-F33 PolarHBondContact O-N 2.97Å; F33-P35 WeakPolarHBondContact O-CD 3.35Å
34	V	87.5	Confident	75.2	Confident	67 Å²	67	84 Å²	84	41%	0.406	42%	0.416	S	S	.	.	S	Bend	trans	-81	120.5	174	175.1	0	0	0	0	108.2	I30 K31 I36	I30-V34 HydrophobicContact CG2-CB 4.26Å; K31-V34 HydrophobicContact CB-CG2 3.68Å; K31-V34 HydrophobicContact CD-CG2 4.28Å; K31-V34 PolarHBondContact O-N 3.2Å; V34-I36 PolarHBondContact O-N 3.18Å
35	P	90.4	Very high	77	Confident	81 Å²	81	84 Å²	84	53%	0.526	42%	0.418	S	S	.	.			trans	-60.4	134.6	172.7	-21.3	33.7	0	0	0	110.2	F33 G84	F33-P35 WeakPolarHBondContact O-CD 3.35Å; P35-G84 CarbonylContact C-O 3.57Å; P35-G84 WeakPolarHBondContact CA-O 3.45Å
36	I	94.3	Very high	79	Confident	50 Å²	50	80 Å²	80	26%	0.256	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	160.3	169.6	66.3	174.9	0	0	0	108.2	V34 V38 N83 G84 A86 I89	V34-I36 PolarHBondContact O-N 3.18Å; I36-V38 HydrophobicContact CD1-CG1 4.25Å; I36-N83 WeakPolarHBondContact O-CA 3.45Å; I36-N83 PolarHBondContact O-OD1 2.92Å; I36-G84 PolarHBondContact N-O 3.43Å; I36-G84 PolarHBondContact O-N 2.9Å; I36-G84 VanDerWaalsContact O-O 3.11Å; I36-A86 HydrophobicContact CD1-CB 4.01Å; I36-I89 HydrophobicContact CD1-CD1 4.01Å; I36-I89 HydrophobicContact CG1-CD1 3.4Å; I36-I89 VanDerWaalsContact CG1-CD1 3.4Å; I36-I89 WeakPolarHBondContact O-CD1 3.4Å
37	I	95.2	Very high	81	Confident	117 Å²	117	74.1 Å²	74.1	60%	0.6	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.5	175.9	-60.8	177.9	0	0	0	106.9	T81 I82 N83	I37-T81 HydrophobicContact CG2-CG2 3.18Å; I37-I82 WeakPolarHBondContact CA-O 3.49Å; I37-N83 HydrophobicContact CG1-CB 4.19Å
38	V	95.2	Very high	83	Confident	10 Å²	10	72.4 Å²	72.4	6%	0.061	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.1	171.1	-57.5	0	0	0	0	110	I36 T81 I82 I89 D126 Y127	I36-V38 HydrophobicContact CD1-CG1 4.25Å; V38-T81 CarbonylContact O-C 3.6Å; V38-T81 VanDerWaalsContact O-CA 3.3Å; V38-T81 WeakPolarHBondContact O-CA 3.19Å; V38-T81 WeakPolarHBondContact O-CG2 3.33Å; V38-I82 HydrophobicContact CG2-CB 4Å; V38-I82 HydrophobicContact CG2-CG1 4.4Å; V38-I82 PolarHBondContact N-O 2.75Å; V38-I82 PolarHBondContact O-N 2.77Å; V38-I89 HydrophobicContact CB-CG2 4.48Å; V38-I89 HydrophobicContact CG1-CD1 4.24Å; V38-I89 HydrophobicContact CG1-CG2 4.27Å; V38-I89 HydrophobicContact CG2-CD1 4.17Å; V38-I89 HydrophobicContact CG2-CG1 4.39Å; V38-I89 HydrophobicContact CG2-CG2 3.41Å; V38-I89 VanDerWaalsContact CG2-CG2 3.41Å; V38-D126 WeakPolarHBondContact CA-OD2 3.41Å; V38-Y127 HydrophobicContact CB-CD2 4.45Å; V38-Y127 HydrophobicContact CB-CE2 4.23Å; V38-Y127 HydrophobicContact CG1-CE2 4.22Å
39	S	95.3	Very high	85	Confident	16 Å²	16	66.9 Å²	66.9	11%	0.112	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	139.8	176.8	57.8	0	0	0	0	109.7	F80 G124 T125 D126 Y127	S39-F80 CarbonylContact C-O 3.56Å; S39-F80 VanDerWaalsContact CA-O 3.26Å; S39-F80 WeakPolarHBondContact CA-O 3.23Å; S39-G124 PolarHBondContact OG-O 2.91Å; S39-T125 VanDerWaalsContact OG-CA 3.29Å; S39-T125 WeakPolarHBondContact OG-CA 3.25Å; S39-D126 PolarHBondContact N-OD2 3.28Å; S39-D126 WeakPolarHBondContact O-CB 3.26Å; S39-D126 PolarHBondContact O-N 2.91Å; S39-D126 PolarHBondContact OG-N 3.37Å; S39-D126 PolarHBondContact OG-OD2 2.94Å; S39-Y127 PolarHBondContact O-N 3.42Å; S39-Y127 VanDerWaalsContact O-N 3.09Å
40	F	95.2	Very high	87.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.4	178.7	71.2	-87.7	0	0	0	111.6	I42 L50 L69 I79 F80 I82 L93 I96 F114 Y127	F40-I42 HydrophobicContact CD2-CG2 3.84Å; F40-I42 HydrophobicContact CE2-CG2 3.82Å; F40-L50 HydrophobicContact CE2-CD2 4.02Å; F40-L50 HydrophobicContact CZ-CD2 4.18Å; F40-L69 HydrophobicContact CE1-CD1 3.88Å; F40-L69 HydrophobicContact CZ-CD1 4.03Å; F40-I79 WeakPolarHBondContact O-CA 3.41Å; F40-F80 HydrophobicContact CD1-CB 3.81Å; F40-F80 HydrophobicContact CD2-CB 4.13Å; F40-F80 HydrophobicContact CD2-CD2 4.4Å; F40-F80 HydrophobicContact CE1-CB 3.25Å; F40-F80 HydrophobicContact CE1-CG 4.15Å; F40-F80 HydrophobicContact CE2-CB 3.66Å; F40-F80 AromaticContact CE2-CD2 3.83Å; F40-F80 HydrophobicContact CE2-CD2 3.83Å; F40-F80 AromaticContact CE2-CG 3.78Å; F40-F80 HydrophobicContact CE2-CG 3.78Å; F40-F80 HydrophobicContact CG-CB 4.22Å; F40-F80 HydrophobicContact CZ-CB 3.2Å; F40-F80 HydrophobicContact CZ-CD1 4.1Å; F40-F80 HydrophobicContact CZ-CD2 4.12Å; F40-F80 AromaticContact CZ-CG 3.57Å; F40-F80 HydrophobicContact CZ-CG 3.57Å; F40-F80 PolarHBondContact N-O 3.39Å; F40-F80 PolarHBondContact O-N 2.92Å; F40-I82 HydrophobicContact CD1-CD1 3.97Å; F40-I82 HydrophobicContact CD1-CG1 3.85Å; F40-I82 HydrophobicContact CE1-CD1 3.51Å; F40-I82 HydrophobicContact CE1-CG1 3.4Å; F40-I82 HydrophobicContact CZ-CD1 4.38Å; F40-L93 HydrophobicContact CD1-CD2 4.19Å; F40-L93 HydrophobicContact CG-CD2 4.25Å; F40-I96 HydrophobicContact CE1-CD1 4.28Å; F40-I96 HydrophobicContact CE2-CD1 4.17Å; F40-I96 HydrophobicContact CZ-CD1 3.64Å; F40-F114 HydrophobicContact CB-CE1 3.96Å; F40-F114 AromaticContact CD2-CE1 3.54Å; F40-F114 HydrophobicContact CD2-CE1 3.54Å; F40-F114 AromaticContact CD2-CZ 3.69Å; F40-F114 HydrophobicContact CD2-CZ 3.69Å; F40-F114 HydrophobicContact CE2-CE1 4.31Å; F40-F114 HydrophobicContact CE2-CZ 4Å; F40-F114 AromaticContact CG-CE1 3.98Å; F40-F114 HydrophobicContact CG-CE1 3.98Å; F40-F114 HydrophobicContact CG-CZ 4.31Å; F40-Y127 CarbonylContact C-O 3.58Å; F40-Y127 WeakPolarHBondContact CA-O 3.31Å
41	R	94.2	Very high	89.1	Confident	15 Å²	15	54.3 Å²	54.3	6%	0.057	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.4	175.7	59.3	-175.4	-179.6	140.5	3.1	112	P78 I79 D117 T125 Y127 I128 L129 E136 Y139	R41-P78 WeakPolarHBondContact CA-O 3.38Å; R41-I79 HydrophobicContact CB-CG1 4.4Å; R41-D117 IonicContact CZ-OD1 3.13Å; R41-D117 IonicContact CZ-OD2 2.7Å; R41-D117 VanDerWaalsContact CZ-OD2 3.22Å; R41-D117 IonicContact NE-OD1 3.92Å; R41-D117 IonicContact NE-OD2 3.79Å; R41-D117 PolarHBondContact NE-OD2 3.39Å; R41-D117 IonicContact NH2-OD1 3.77Å; R41-D117 PolarHBondContact NH2-OD1 2.81Å; R41-D117 IonicContact NH2-OD2 3.19Å; R41-D117 PolarHBondContact NH2-OD2 3.2Å; R41-D117 VanDerWaalsContact NH2-OD2 3.13Å; R41-T125 HydrophobicContact CB-CG2 4.33Å; R41-T125 VanDerWaalsContact CD-OG1 3.31Å; R41-T125 WeakPolarHBondContact CD-OG1 3.28Å; R41-T125 HydrophobicContact CG-CG2 4.42Å; R41-T125 PolarHBondContact NE-OG1 3.28Å; R41-Y127 PolarHBondContact N-O 3.1Å; R41-I128 HydrophobicContact CG-CB 4.01Å; R41-I128 HydrophobicContact CG-CD1 4.23Å; R41-I128 HydrophobicContact CG-CG1 3.88Å; R41-I128 WeakPolarHBondContact O-CA 3.43Å; R41-L129 PolarHBondContact O-N 3Å; R41-E136 IonicContact CZ-OE1 3.68Å; R41-E136 IonicContact CZ-OE2 2.75Å; R41-E136 IonicContact NH1-OE1 2.72Å; R41-E136 PolarHBondContact NH1-OE1 3.01Å; R41-E136 IonicContact NH1-OE2 3.22Å; R41-E136 PolarHBondContact NH1-OE2 3.47Å; R41-E136 IonicContact NH2-OE1 2.81Å; R41-E136 PolarHBondContact NH2-OE1 3.33Å; R41-E136 IonicContact NH2-OE2 3.83Å; R41-Y139 HydrophobicContact CB-CD1 4.48Å; R41-Y139 HydrophobicContact CG-CD1 4.29Å
42	I	93.6	Very high	90.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.265	C	S	.	.			trans	-124.6	160	175	70	174.4	0	0	0	109.7	F40 T44 M46 V47 L50 P78 F80 F114 L129 Y139	F40-I42 HydrophobicContact CD2-CG2 3.84Å; F40-I42 HydrophobicContact CE2-CG2 3.82Å; I42-T44 PolarHBondContact O-N 3.15Å; I42-M46 HydrophobicContact CD1-CB 4.1Å; I42-V47 HydrophobicContact CD1-CG2 4.27Å; I42-V47 HydrophobicContact CG1-CG2 4.16Å; I42-L50 HydrophobicContact CD1-CB 3.85Å; I42-L50 HydrophobicContact CD1-CD2 3.67Å; I42-L50 HydrophobicContact CD1-CG 4.41Å; I42-P78 PolarHBondContact N-O 2.89Å; I42-P78 WeakPolarHBondContact O-CB 3.41Å; I42-P78 WeakPolarHBondContact O-CG 3.48Å; I42-F80 HydrophobicContact CD1-CE2 3.81Å; I42-F80 HydrophobicContact CD1-CZ 4.15Å; I42-F80 HydrophobicContact CG1-CD2 4.48Å; I42-F80 HydrophobicContact CG1-CE2 3.82Å; I42-F114 HydrophobicContact CG2-CE1 4.37Å; I42-F114 HydrophobicContact CG2-CZ 4.34Å; I42-L129 HydrophobicContact CB-CB 4.23Å; I42-L129 HydrophobicContact CB-CD2 4.19Å; I42-L129 HydrophobicContact CG2-CB 3.72Å; I42-L129 HydrophobicContact CG2-CD2 3.78Å; I42-L129 HydrophobicContact CG2-CG 4.41Å; I42-Y139 VanDerWaalsContact C-CD1 3.47Å; I42-Y139 WeakPolarHBondContact O-CD1 3.49Å
43	P	92.6	Very high	92	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.			trans	-54.4	136.2	173.7	-26.5	35.9	0	0	0	111.3	M45 M46 Y112 L129 K138 Y139	P43-M45 HydrophobicContact CB-CG 4.13Å; P43-M45 PolarHBondContact O-N 2.87Å; P43-M46 HydrophobicContact CB-CG 4.18Å; P43-M46 HydrophobicContact CB-SD 4.14Å; P43-M46 HydrophobicContact CG-SD 3.86Å; P43-M46 WeakPolarHBondContact O-CB 3.29Å; P43-M46 PolarHBondContact O-N 3.4Å; P43-Y112 HydrophobicContact CG-CE1 3.9Å; P43-L129 WeakPolarHBondContact CD-O 3.24Å; P43-K138 CarbonylContact C-O 3.59Å; P43-K138 WeakPolarHBondContact CA-O 3.28Å; P43-K138 HydrophobicContact CB-CB 4.33Å; P43-Y139 HydrophobicContact CG-CE1 3.94Å
44	T	91.7	Very high	92.7	Very high	32 Å²	32	50.3 Å²	50.3	20%	0.196	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-56	-32.4	-175.8	-55.1	0	0	0	0	112.3	I42 M46 V47 K138 K140	I42-T44 PolarHBondContact O-N 3.15Å; T44-M46 PolarHBondContact O-N 3.22Å; T44-V47 PolarHBondContact O-N 3.01Å; T44-K138 PolarHBondContact N-O 3.32Å; T44-K138 PolarHBondContact OG1-O 2.89Å; T44-K140 PolarHBondContact OG1-O 3.12Å
45	M	89.9	Confident	92.9	Very high	130 Å²	130	50.7 Å²	50.7	64%	0.64	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-67.2	-13.2	176.9	65.4	-178.8	-91.6	0	0	114.5	P43	P43-M45 HydrophobicContact CB-CG 4.13Å; P43-M45 PolarHBondContact O-N 2.87Å
46	M	92.5	Very high	93.1	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-105.2	-5.1	-176.7	-62.8	-176	166.1	0	0	113.2	I42 P43 T44 D48 T49 L50 I100 C104 Y112	I42-M46 HydrophobicContact CD1-CB 4.1Å; P43-M46 HydrophobicContact CB-CG 4.18Å; P43-M46 HydrophobicContact CB-SD 4.14Å; P43-M46 HydrophobicContact CG-SD 3.86Å; P43-M46 WeakPolarHBondContact O-CB 3.29Å; P43-M46 PolarHBondContact O-N 3.4Å; T44-M46 PolarHBondContact O-N 3.22Å; M46-D48 PolarHBondContact O-N 3.36Å; M46-T49 WeakPolarHBondContact O-CB 2.99Å; M46-T49 PolarHBondContact O-N 3.49Å; M46-L50 PolarHBondContact O-N 3.19Å; M46-I100 HydrophobicContact CB-CD1 3.95Å; M46-I100 HydrophobicContact CE-CG2 4.01Å; M46-I100 HydrophobicContact CG-CD1 4.5Å; M46-I100 HydrophobicContact SD-CD1 4.42Å; M46-I100 HydrophobicContact SD-CG2 3.47Å; M46-I100 WeakPolarHBondContact SD-CG2 3.39Å; M46-C104 HydrophobicContact CE-CB 3.69Å; M46-Y112 HydrophobicContact CE-CD1 4.43Å; M46-Y112 HydrophobicContact CE-CD2 4.07Å; M46-Y112 HydrophobicContact CE-CE1 3.77Å; M46-Y112 HydrophobicContact CE-CE2 3.36Å; M46-Y112 VanDerWaalsContact CE-OH 3.23Å; M46-Y112 WeakPolarHBondContact CE-OH 3.4Å; M46-Y112 HydrophobicContact SD-CD1 4.32Å; M46-Y112 HydrophobicContact SD-CE1 3.97Å; M46-Y112 HydrophobicContact SD-CE2 4.38Å
47	V	92.7	Very high	93.1	Very high	24 Å²	24	53.7 Å²	53.7	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-49.8	-179.4	172.6	0	0	0	0	110.7	I42 T44 T49 L50 V51 P72 P78 F80	I42-V47 HydrophobicContact CD1-CG2 4.27Å; I42-V47 HydrophobicContact CG1-CG2 4.16Å; T44-V47 PolarHBondContact O-N 3.01Å; V47-T49 VanDerWaalsContact C-N 3.29Å; V47-T49 PolarHBondContact O-N 3Å; V47-L50 PolarHBondContact O-N 3.24Å; V47-L50 VanDerWaalsContact O-N 3.13Å; V47-V51 HydrophobicContact CG1-CG2 4.09Å; V47-V51 WeakPolarHBondContact O-CB 3.32Å; V47-V51 VanDerWaalsContact O-CG2 3.23Å; V47-V51 WeakPolarHBondContact O-CG2 3.47Å; V47-V51 PolarHBondContact O-N 2.9Å; V47-P72 HydrophobicContact CG1-CG 4.42Å; V47-P78 HydrophobicContact CG2-CB 3.6Å; V47-F80 HydrophobicContact CG1-CZ 4.17Å; V47-F80 HydrophobicContact CG2-CE2 4.33Å; V47-F80 HydrophobicContact CG2-CZ 4.48Å
48	D	91.7	Very high	93.1	Very high	133 Å²	133	48.2 Å²	48.2	71%	0.711	25%	0.246	S	C	*	.	H	α-helix	trans	-64.2	-36.8	-179.5	-61.7	-26.8	0	0	0	111.5	M46 G52	M46-D48 PolarHBondContact O-N 3.36Å; D48-G52 PolarHBondContact O-N 3.49Å
49	T	92.7	Very high	93.2	Very high	35 Å²	35	53.2 Å²	53.2	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-61.3	-47.2	172.5	-52.9	0	0	0	0	110.9	M46 V47 R57 I100 D103	M46-T49 WeakPolarHBondContact O-CB 2.99Å; M46-T49 PolarHBondContact O-N 3.49Å; V47-T49 VanDerWaalsContact C-N 3.29Å; V47-T49 PolarHBondContact O-N 3Å; T49-R57 WeakPolarHBondContact O-CD 3.42Å; T49-R57 PolarHBondContact O-NH1 3.36Å; T49-I100 HydrophobicContact CG2-CD1 4.15Å; T49-D103 HydrophobicContact CG2-CB 3.59Å
50	L	94.5	Very high	93.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.8	-44.2	-179.2	175	56.5	0	0	0	112.2	F40 I42 M46 V47 R57 I61 F80 I96 I100	F40-L50 HydrophobicContact CE2-CD2 4.02Å; F40-L50 HydrophobicContact CZ-CD2 4.18Å; I42-L50 HydrophobicContact CD1-CB 3.85Å; I42-L50 HydrophobicContact CD1-CD2 3.67Å; I42-L50 HydrophobicContact CD1-CG 4.41Å; M46-L50 PolarHBondContact O-N 3.19Å; V47-L50 PolarHBondContact O-N 3.24Å; V47-L50 VanDerWaalsContact O-N 3.13Å; L50-R57 WeakPolarHBondContact O-CD 3.26Å; L50-R57 WeakPolarHBondContact O-CG 3.41Å; L50-I61 HydrophobicContact CD1-CD1 3.59Å; L50-F80 HydrophobicContact CD2-CD1 4.2Å; L50-F80 HydrophobicContact CD2-CE1 3.79Å; L50-F80 HydrophobicContact CD2-CE2 4.17Å; L50-F80 HydrophobicContact CD2-CZ 3.78Å; L50-F80 HydrophobicContact CG-CE1 4.35Å; L50-F80 HydrophobicContact CG-CZ 4.44Å; L50-I96 HydrophobicContact CD1-CB 4.32Å; L50-I96 HydrophobicContact CD1-CD1 4.35Å; L50-I96 HydrophobicContact CD1-CG1 3.77Å; L50-I96 HydrophobicContact CD1-CG2 3.94Å; L50-I96 HydrophobicContact CD2-CD1 4.49Å; L50-I96 HydrophobicContact CD2-CG2 4.13Å; L50-I100 HydrophobicContact CB-CD1 4.46Å
51	V	93.7	Very high	93.4	Very high	15 Å²	15	56.9 Å²	56.9	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-69.7	-40.2	-175.1	173.5	0	0	0	0	111.1	V47 D55 R57 A58 L71 F80	V47-V51 HydrophobicContact CG1-CG2 4.09Å; V47-V51 WeakPolarHBondContact O-CB 3.32Å; V47-V51 VanDerWaalsContact O-CG2 3.23Å; V47-V51 WeakPolarHBondContact O-CG2 3.47Å; V47-V51 PolarHBondContact O-N 2.9Å; V51-D55 HydrophobicContact CG1-CB 4.04Å; V51-D55 WeakPolarHBondContact CG1-OD1 3.04Å; V51-D55 CarbonylContact O-C 3.53Å; V51-D55 WeakPolarHBondContact O-CA 3.29Å; V51-R57 WeakPolarHBondContact O-CB 3.38Å; V51-R57 PolarHBondContact O-N 3.4Å; V51-A58 PolarHBondContact O-N 2.83Å; V51-L71 HydrophobicContact CG1-CD1 4.05Å; V51-L71 HydrophobicContact CG2-CD1 4.4Å; V51-L71 HydrophobicContact CG2-CD2 4.35Å; V51-F80 HydrophobicContact CG2-CE1 4.01Å; V51-F80 HydrophobicContact CG2-CZ 4.14Å
52	G	91.7	Very high	93.5	Very high	22 Å²	22	56.9 Å²	56.9	23%	0.227	29%	0.292	C	S	.	.			trans	74.7	-179.9	-174.5	0	0	0	0	0	113.1	D48 E54	D48-G52 PolarHBondContact O-N 3.49Å; G52-E54 PolarHBondContact O-N 3.47Å
53	E	91.6	Very high	93.6	Very high	155 Å²	155	66 Å²	66	72%	0.724	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-65	132.1	174.1	-174.7	171.4	-163.2	0	0	110.1	D55 Q56	E53-D55 PolarHBondContact O-N 3.02Å; E53-Q56 VanDerWaalsContact O-CB 3.31Å; E53-Q56 WeakPolarHBondContact O-CB 3.39Å; E53-Q56 VanDerWaalsContact O-CG 3.25Å; E53-Q56 WeakPolarHBondContact O-CG 3.42Å; E53-Q56 PolarHBondContact O-N 3.33Å
54	E	89.5	Confident	93.8	Very high	154 Å²	154	70.5 Å²	70.5	72%	0.72	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	48.8	33.9	-179	-61.1	-175.5	162.9	0	0	114.3	G52 Q56	G52-E54 PolarHBondContact O-N 3.47Å; E54-Q56 HydrophobicContact CB-CG 4.47Å; E54-Q56 PolarHBondContact O-N 3.03Å; E54-Q56 VanDerWaalsContact O-N 3.1Å
55	D	92.1	Very high	94.1	Very high	74 Å²	74	69 Å²	69	40%	0.396	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	64.2	9.3	-179.1	-48.1	-22.3	0	0	0	114.7	V51 E53 R57 A58 L59 L71	V51-D55 HydrophobicContact CG1-CB 4.04Å; V51-D55 WeakPolarHBondContact CG1-OD1 3.04Å; V51-D55 CarbonylContact O-C 3.53Å; V51-D55 WeakPolarHBondContact O-CA 3.29Å; E53-D55 PolarHBondContact O-N 3.02Å; D55-R57 VanDerWaalsContact C-N 3.28Å; D55-R57 PolarHBondContact O-N 3.1Å; D55-A58 PolarHBondContact O-N 2.96Å; D55-L59 WeakPolarHBondContact O-CG 3.37Å; D55-L59 PolarHBondContact O-N 2.73Å; D55-L71 HydrophobicContact CB-CD1 3.76Å; D55-L71 VanDerWaalsContact CG-CD1 3.47Å
56	Q	94.9	Very high	94.4	Very high	115 Å²	115	69 Å²	69	54%	0.537	34%	0.339	S	S	.	.	H	α-helix	trans	-58.9	-36.7	-172.3	-72.7	-179.4	6.6	0	0	113.3	E53 E54 L59 L60	E53-Q56 VanDerWaalsContact O-CB 3.31Å; E53-Q56 WeakPolarHBondContact O-CB 3.39Å; E53-Q56 VanDerWaalsContact O-CG 3.25Å; E53-Q56 WeakPolarHBondContact O-CG 3.42Å; E53-Q56 PolarHBondContact O-N 3.33Å; E54-Q56 HydrophobicContact CB-CG 4.47Å; E54-Q56 PolarHBondContact O-N 3.03Å; E54-Q56 VanDerWaalsContact O-N 3.1Å; Q56-L59 PolarHBondContact O-N 3.37Å; Q56-L60 WeakPolarHBondContact O-CB 3.34Å; Q56-L60 PolarHBondContact O-N 3.26Å
57	R	95.5	Very high	94.6	Very high	79 Å²	79	69.4 Å²	69.4	30%	0.298	34%	0.341	S	S	.	.	H	α-helix	trans	-72.1	-42.1	-178.1	-174	179.5	-69	-171.1	-12.7	111	T49 L50 V51 D55 L59 L60 I61 I99 D103	T49-R57 WeakPolarHBondContact O-CD 3.42Å; T49-R57 PolarHBondContact O-NH1 3.36Å; L50-R57 WeakPolarHBondContact O-CD 3.26Å; L50-R57 WeakPolarHBondContact O-CG 3.41Å; V51-R57 WeakPolarHBondContact O-CB 3.38Å; V51-R57 PolarHBondContact O-N 3.4Å; D55-R57 VanDerWaalsContact C-N 3.28Å; D55-R57 PolarHBondContact O-N 3.1Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.04Å; R57-L60 PolarHBondContact O-N 2.71Å; R57-I61 HydrophobicContact CG-CD1 4.31Å; R57-I61 WeakPolarHBondContact O-CD1 3.39Å; R57-I61 VanDerWaalsContact O-CG1 3.28Å; R57-I61 WeakPolarHBondContact O-CG1 3.29Å; R57-I61 PolarHBondContact O-N 3.17Å; R57-I99 HydrophobicContact CG-CD1 4.27Å; R57-D103 IonicContact CZ-OD2 2.75Å; R57-D103 IonicContact NH1-OD2 3.49Å; R57-D103 PolarHBondContact NH1-OD2 3.29Å; R57-D103 IonicContact NH2-OD2 3.77Å; R57-D103 PolarHBondContact NH2-OD2 3.39Å
58	A	95.2	Very high	94.8	Very high	3 Å²	3	73.1 Å²	73.1	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-59.6	-43	172.4	0	0	0	0	0	112.1	V51 D55 I61 A62 L69 L71	V51-A58 PolarHBondContact O-N 2.83Å; D55-A58 PolarHBondContact O-N 2.96Å; A58-I61 PolarHBondContact O-N 2.96Å; A58-A62 WeakPolarHBondContact O-CB 3.2Å; A58-A62 PolarHBondContact O-N 3.17Å; A58-L69 HydrophobicContact CB-CD2 3.74Å; A58-L71 HydrophobicContact CB-CD1 4.32Å; A58-L71 HydrophobicContact CB-CD2 3.61Å
59	L	95.8	Very high	95	Very high	114 Å²	114	68 Å²	68	60%	0.597	33%	0.333	S	S	*	.	H	α-helix	trans	-64	-39.4	176.4	-68.4	173	0	0	0	112.3	D55 Q56 R57 A62 Y63	D55-L59 WeakPolarHBondContact O-CG 3.37Å; D55-L59 PolarHBondContact O-N 2.73Å; Q56-L59 PolarHBondContact O-N 3.37Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.04Å; L59-A62 PolarHBondContact O-N 3.09Å; L59-Y63 WeakPolarHBondContact O-CB 3.41Å; L59-Y63 PolarHBondContact O-N 3.42Å
60	L	97	Very high	95.1	Very high	89 Å²	89	70.4 Å²	70.4	47%	0.466	35%	0.347	S	S	.	.	H	α-helix	trans	-64.6	-44.3	176.2	-177.5	62.7	0	0	0	111.6	Q56 R57 A62 Y63 E64	Q56-L60 WeakPolarHBondContact O-CB 3.34Å; Q56-L60 PolarHBondContact O-N 3.26Å; R57-L60 PolarHBondContact O-N 2.71Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.24Å; L60-Y63 PolarHBondContact O-N 3.17Å; L60-E64 HydrophobicContact CD1-CG 4.05Å; L60-E64 HydrophobicContact CG-CG 4.29Å; L60-E64 WeakPolarHBondContact O-CB 3.37Å; L60-E64 WeakPolarHBondContact O-CG 3.45Å; L60-E64 PolarHBondContact O-N 3.2Å
61	I	97.4	Very high	95.1	Very high	4 Å²	4	72.8 Å²	72.8	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-59.3	-47.7	176	-65.3	161.1	0	0	0	110.1	L50 R57 A58 Y63 E64 T65 A92 I95 I96 I99	L50-I61 HydrophobicContact CD1-CD1 3.59Å; R57-I61 HydrophobicContact CG-CD1 4.31Å; R57-I61 WeakPolarHBondContact O-CD1 3.39Å; R57-I61 VanDerWaalsContact O-CG1 3.28Å; R57-I61 WeakPolarHBondContact O-CG1 3.29Å; R57-I61 PolarHBondContact O-N 3.17Å; A58-I61 PolarHBondContact O-N 2.96Å; I61-Y63 PolarHBondContact O-N 2.92Å; I61-E64 PolarHBondContact O-N 3.05Å; I61-T65 HydrophobicContact CG2-CG2 4.36Å; I61-T65 VanDerWaalsContact O-CB 3.29Å; I61-T65 WeakPolarHBondContact O-CB 3.44Å; I61-T65 VanDerWaalsContact O-CG2 3.24Å; I61-T65 WeakPolarHBondContact O-CG2 3.45Å; I61-T65 PolarHBondContact O-N 3.13Å; I61-T65 PolarHBondContact O-OG1 3.31Å; I61-A92 HydrophobicContact CG2-CB 4.27Å; I61-I95 HydrophobicContact CG1-CG2 3.99Å; I61-I96 HydrophobicContact CD1-CG1 4.08Å; I61-I96 HydrophobicContact CG2-CG1 4.34Å; I61-I99 HydrophobicContact CD1-CD1 3.69Å; I61-I99 HydrophobicContact CG1-CD1 4.01Å
62	A	97.3	Very high	94.9	Very high	15 Å²	15	73.2 Å²	73.2	12%	0.124	36%	0.363	C	S	.	.	H	α-helix	trans	-57	-48.1	177.8	0	0	0	0	0	111.5	A58 L59 L60 T65 E66 T67 L69	A58-A62 WeakPolarHBondContact O-CB 3.2Å; A58-A62 PolarHBondContact O-N 3.17Å; L59-A62 PolarHBondContact O-N 3.09Å; L60-A62 VanDerWaalsContact C-N 3.34Å; L60-A62 PolarHBondContact O-N 3.24Å; A62-T65 PolarHBondContact O-N 3.06Å; A62-T65 PolarHBondContact O-OG1 2.92Å; A62-E66 WeakPolarHBondContact O-CA 3.26Å; A62-E66 PolarHBondContact O-N 3.13Å; A62-T67 CarbonylContact C-O 3.51Å; A62-T67 WeakPolarHBondContact CA-O 3.32Å; A62-T67 VanDerWaalsContact CB-O 3.28Å; A62-T67 WeakPolarHBondContact CB-O 3.41Å; A62-T67 PolarHBondContact O-N 3.37Å; A62-L69 HydrophobicContact CB-CB 4.12Å
63	Y	96.5	Very high	94.5	Very high	192 Å²	192	81 Å²	81	75%	0.753	39%	0.385	S	S	*	.	H	α-helix	trans	-62.7	-51.4	177.6	177.4	-100.5	0	0	0	113	L59 L60 I61 T65 E66	L59-Y63 WeakPolarHBondContact O-CB 3.41Å; L59-Y63 PolarHBondContact O-N 3.42Å; L60-Y63 PolarHBondContact O-N 3.17Å; I61-Y63 PolarHBondContact O-N 2.92Å; Y63-T65 PolarHBondContact O-N 3.24Å; Y63-E66 PolarHBondContact O-N 2.95Å
64	E	96.7	Very high	93.8	Very high	94 Å²	94	84.1 Å²	84.1	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-63	-29.8	-178.9	-74.8	-176	177.4	0	0	112.8	L60 I61	L60-E64 HydrophobicContact CD1-CG 4.05Å; L60-E64 HydrophobicContact CG-CG 4.29Å; L60-E64 WeakPolarHBondContact O-CB 3.37Å; L60-E64 WeakPolarHBondContact O-CG 3.45Å; L60-E64 PolarHBondContact O-N 3.2Å; I61-E64 PolarHBondContact O-N 3.05Å
65	T	96.7	Very high	93	Very high	0 Å²	0	83.6 Å²	83.6	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-97.7	-5.3	-176.4	62.9	0	0	0	0	113.4	I61 A62 Y63 T67 N88 R91 A92 I95	I61-T65 HydrophobicContact CG2-CG2 4.36Å; I61-T65 VanDerWaalsContact O-CB 3.29Å; I61-T65 WeakPolarHBondContact O-CB 3.44Å; I61-T65 VanDerWaalsContact O-CG2 3.24Å; I61-T65 WeakPolarHBondContact O-CG2 3.45Å; I61-T65 PolarHBondContact O-N 3.13Å; I61-T65 PolarHBondContact O-OG1 3.31Å; A62-T65 PolarHBondContact O-N 3.06Å; A62-T65 PolarHBondContact O-OG1 2.92Å; Y63-T65 PolarHBondContact O-N 3.24Å; T65-T67 VanDerWaalsContact C-N 3.27Å; T65-T67 PolarHBondContact O-N 3.28Å; T65-T67 PolarHBondContact OG1-OG1 2.88Å; T65-N88 WeakPolarHBondContact O-CB 3.41Å; T65-N88 PolarHBondContact O-ND2 3.04Å; T65-R91 HydrophobicContact CG2-CB 4.38Å; T65-R91 HydrophobicContact CG2-CG 4Å; T65-R91 PolarHBondContact O-NH2 3.31Å; T65-A92 VanDerWaalsContact CG2-CA 3.46Å; T65-A92 HydrophobicContact CG2-CB 3.71Å; T65-I95 HydrophobicContact CG2-CD1 3.64Å
66	E	95.9	Very high	92.4	Very high	132 Å²	132	85 Å²	85	62%	0.617	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	52.1	-172.2	-57.8	155.3	-113.9	0	0	110.4	A62 Y63 N88 R91	A62-E66 WeakPolarHBondContact O-CA 3.26Å; A62-E66 PolarHBondContact O-N 3.13Å; Y63-E66 PolarHBondContact O-N 2.95Å; E66-N88 PolarHBondContact O-ND2 2.92Å; E66-R91 IonicContact OE1-CZ 3.96Å; E66-R91 IonicContact OE1-NH1 3.86Å; E66-R91 IonicContact OE1-NH2 3.38Å; E66-R91 PolarHBondContact OE1-NH2 2.94Å
67	T	96.9	Very high	91.6	Very high	9 Å²	9	82.6 Å²	82.6	6%	0.055	39%	0.386	C	S	.	.			trans	-129.7	161.3	175.3	63.9	0	0	0	0	110.4	A62 T65 I82 N83 N88 I89	A62-T67 CarbonylContact C-O 3.51Å; A62-T67 WeakPolarHBondContact CA-O 3.32Å; A62-T67 VanDerWaalsContact CB-O 3.28Å; A62-T67 WeakPolarHBondContact CB-O 3.41Å; A62-T67 PolarHBondContact O-N 3.37Å; T65-T67 VanDerWaalsContact C-N 3.27Å; T65-T67 PolarHBondContact O-N 3.28Å; T65-T67 PolarHBondContact OG1-OG1 2.88Å; T67-I82 HydrophobicContact CG2-CG2 3.79Å; T67-N83 CarbonylContact C-O 3.47Å; T67-N83 VanDerWaalsContact CA-O 3.28Å; T67-N83 WeakPolarHBondContact CA-O 3.17Å; T67-N83 VanDerWaalsContact CB-O 3.29Å; T67-N83 WeakPolarHBondContact CB-O 3.29Å; T67-N88 HydrophobicContact CG2-CB 3.66Å; T67-I89 HydrophobicContact CG2-CG1 4.47Å
68	D	96.6	Very high	91.2	Very high	101 Å²	101	79 Å²	79	54%	0.54	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.9	166.6	-49.5	-58.3	0	0	0	109.2	I82 N83	D68-I82 WeakPolarHBondContact O-CA 3.34Å; D68-N83 HydrophobicContact CB-CB 4.17Å; D68-N83 PolarHBondContact N-O 2.93Å; D68-N83 PolarHBondContact O-N 3.48Å; D68-N83 PolarHBondContact OD2-ND2 3.09Å
69	L	96.5	Very high	91	Very high	27 Å²	27	81.4 Å²	81.4	14%	0.141	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113.9	177.5	-177.5	63.5	0	0	0	110.1	F40 A58 A62 L71 F80 T81 I82	F40-L69 HydrophobicContact CE1-CD1 3.88Å; F40-L69 HydrophobicContact CZ-CD1 4.03Å; A58-L69 HydrophobicContact CB-CD2 3.74Å; A62-L69 HydrophobicContact CB-CB 4.12Å; L69-L71 HydrophobicContact CD2-CD2 4.25Å; L69-L71 HydrophobicContact CG-CD2 4.1Å; L69-F80 HydrophobicContact CD1-CB 4.31Å; L69-F80 HydrophobicContact CD1-CD1 4.25Å; L69-T81 CarbonylContact C-O 3.21Å; L69-T81 WeakPolarHBondContact CA-O 3.48Å; L69-I82 HydrophobicContact CD1-CD1 4.4Å; L69-I82 HydrophobicContact CD1-CG1 3.81Å
70	T	95.2	Very high	91	Very high	85 Å²	85	76 Å²	76	52%	0.521	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.8	174.5	-56.1	0	0	0	0	110.1	F80 T81	T70-F80 WeakPolarHBondContact O-CA 3.39Å; T70-T81 PolarHBondContact N-O 2.92Å; T70-T81 PolarHBondContact O-N 3.3Å; T70-T81 VanDerWaalsContact O-N 3.1Å
71	L	93.4	Very high	90.9	Very high	49 Å²	49	73.7 Å²	73.7	26%	0.257	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-87.6	146.5	-176.4	-50.4	-176.2	0	0	0	111.9	V51 D55 A58 L69 F80	V51-L71 HydrophobicContact CG1-CD1 4.05Å; V51-L71 HydrophobicContact CG2-CD1 4.4Å; V51-L71 HydrophobicContact CG2-CD2 4.35Å; D55-L71 HydrophobicContact CB-CD1 3.76Å; D55-L71 VanDerWaalsContact CG-CD1 3.47Å; A58-L71 HydrophobicContact CB-CD1 4.32Å; A58-L71 HydrophobicContact CB-CD2 3.61Å; L69-L71 HydrophobicContact CD2-CD2 4.25Å; L69-L71 HydrophobicContact CG-CD2 4.1Å; L71-F80 HydrophobicContact CD2-CD1 3.93Å; L71-F80 HydrophobicContact CD2-CE1 3.77Å
72	P	89.6	Confident	90.9	Very high	25 Å²	25	73.6 Å²	73.6	16%	0.162	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.8	145.7	171.4	25.7	-33.2	0	0	0	110.2	V47 S77 I79 F80	V47-P72 HydrophobicContact CG1-CG 4.42Å; P72-S77 WeakPolarHBondContact CB-O 3.39Å; P72-I79 WeakPolarHBondContact CB-O 3.37Å; P72-F80 VanDerWaalsContact CD-CD1 3.48Å; P72-F80 VanDerWaalsContact CD-CZ 3.49Å; P72-F80 HydrophobicContact CG-CD2 4.19Å; P72-F80 HydrophobicContact CG-CE1 4.14Å; P72-F80 HydrophobicContact CG-CE2 3.75Å; P72-F80 HydrophobicContact CG-CZ 3.74Å
73	R	83.8	Confident	90.8	Very high	186 Å²	186	75.2 Å²	75.2	70%	0.702	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-67.2	145.2	170.4	-60.7	-177.4	178	-171.8	1.6	109.3	F75 Q76	R73-F75 PolarHBondContact O-N 3.1Å; R73-Q76 HydrophobicContact CB-CB 4.31Å; R73-Q76 HydrophobicContact CB-CG 3.88Å; R73-Q76 WeakPolarHBondContact O-CB 3.27Å; R73-Q76 PolarHBondContact O-N 2.97Å
74	R	76.3	Confident	90.8	Very high	219 Å²	219	66.5 Å²	66.5	83%	0.826	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	135.8	175.7	-65.1	-173.6	179.6	-169.1	-0.3	110.7	Q76	R74-Q76 PolarHBondContact O-N 3.49Å
75	F	73.4	Confident	90.7	Very high	144 Å²	144	63.1 Å²	63.1	63%	0.632	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	13.2	-179.4	-41	-75.2	0	0	0	115.5	R73 P141	R73-F75 PolarHBondContact O-N 3.1Å; F75-P141 WeakPolarHBondContact O-CB 3.44Å
76	Q	78.8	Confident	90.5	Very high	104 Å²	104	64.9 Å²	64.9	49%	0.486	32%	0.322	S	S	.	.	S	Bend	trans	-100.4	177.2	168.1	-62.5	-167.9	-12.7	0	0	110.8	R73 R74	R73-Q76 HydrophobicContact CB-CB 4.31Å; R73-Q76 HydrophobicContact CB-CG 3.88Å; R73-Q76 WeakPolarHBondContact O-CB 3.27Å; R73-Q76 PolarHBondContact O-N 2.97Å; R74-Q76 PolarHBondContact O-N 3.49Å
77	S	79.4	Confident	90.4	Very high	63 Å²	63	61.5 Å²	61.5	44%	0.441	31%	0.312	S	S	.	.			trans	-53.1	137.4	174	-56.7	0	0	0	0	109.6	P72 I79	P72-S77 WeakPolarHBondContact CB-O 3.39Å; S77-I79 PolarHBondContact O-N 3.33Å
78	P	86.3	Confident	90.4	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.032	32%	0.316	C	S	.	.			trans	-76.1	54.7	-177.3	34.7	-37.9	0	0	0	111	R41 I42 V47 Y139	R41-P78 WeakPolarHBondContact CA-O 3.38Å; I42-P78 PolarHBondContact N-O 2.89Å; I42-P78 WeakPolarHBondContact O-CB 3.41Å; I42-P78 WeakPolarHBondContact O-CG 3.48Å; V47-P78 HydrophobicContact CG2-CB 3.6Å; P78-Y139 WeakPolarHBondContact CD-O 3.28Å; P78-Y139 WeakPolarHBondContact CG-O 3.22Å
79	I	91.6	Very high	90.3	Very high	52 Å²	52	57.6 Å²	57.6	27%	0.267	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.8	-179.3	-58.7	174.1	0	0	0	108	F40 R41 P72 S77 T125	F40-I79 WeakPolarHBondContact O-CA 3.41Å; R41-I79 HydrophobicContact CB-CG1 4.4Å; P72-I79 WeakPolarHBondContact CB-O 3.37Å; S77-I79 PolarHBondContact O-N 3.33Å; I79-T125 HydrophobicContact CB-CG2 4.16Å; I79-T125 HydrophobicContact CD1-CG2 3.74Å; I79-T125 HydrophobicContact CG1-CG2 3.66Å; I79-T125 HydrophobicContact CG2-CG2 3.5Å
80	F	95	Very high	90.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	160.8	173.9	-66.5	-104.1	0	0	0	109	S39 F40 I42 V47 L50 V51 L69 T70 L71 P72	S39-F80 CarbonylContact C-O 3.56Å; S39-F80 VanDerWaalsContact CA-O 3.26Å; S39-F80 WeakPolarHBondContact CA-O 3.23Å; F40-F80 HydrophobicContact CD1-CB 3.81Å; F40-F80 HydrophobicContact CD2-CB 4.13Å; F40-F80 HydrophobicContact CD2-CD2 4.4Å; F40-F80 HydrophobicContact CE1-CB 3.25Å; F40-F80 HydrophobicContact CE1-CG 4.15Å; F40-F80 HydrophobicContact CE2-CB 3.66Å; F40-F80 AromaticContact CE2-CD2 3.83Å; F40-F80 HydrophobicContact CE2-CD2 3.83Å; F40-F80 AromaticContact CE2-CG 3.78Å; F40-F80 HydrophobicContact CE2-CG 3.78Å; F40-F80 HydrophobicContact CG-CB 4.22Å; F40-F80 HydrophobicContact CZ-CB 3.2Å; F40-F80 HydrophobicContact CZ-CD1 4.1Å; F40-F80 HydrophobicContact CZ-CD2 4.12Å; F40-F80 AromaticContact CZ-CG 3.57Å; F40-F80 HydrophobicContact CZ-CG 3.57Å; F40-F80 PolarHBondContact N-O 3.39Å; F40-F80 PolarHBondContact O-N 2.92Å; I42-F80 HydrophobicContact CD1-CE2 3.81Å; I42-F80 HydrophobicContact CD1-CZ 4.15Å; I42-F80 HydrophobicContact CG1-CD2 4.48Å; I42-F80 HydrophobicContact CG1-CE2 3.82Å; V47-F80 HydrophobicContact CG1-CZ 4.17Å; V47-F80 HydrophobicContact CG2-CE2 4.33Å; V47-F80 HydrophobicContact CG2-CZ 4.48Å; L50-F80 HydrophobicContact CD2-CD1 4.2Å; L50-F80 HydrophobicContact CD2-CE1 3.79Å; L50-F80 HydrophobicContact CD2-CE2 4.17Å; L50-F80 HydrophobicContact CD2-CZ 3.78Å; L50-F80 HydrophobicContact CG-CE1 4.35Å; L50-F80 HydrophobicContact CG-CZ 4.44Å; V51-F80 HydrophobicContact CG2-CE1 4.01Å; V51-F80 HydrophobicContact CG2-CZ 4.14Å; L69-F80 HydrophobicContact CD1-CB 4.31Å; L69-F80 HydrophobicContact CD1-CD1 4.25Å; T70-F80 WeakPolarHBondContact O-CA 3.39Å; L71-F80 HydrophobicContact CD2-CD1 3.93Å; L71-F80 HydrophobicContact CD2-CE1 3.77Å; P72-F80 VanDerWaalsContact CD-CD1 3.48Å; P72-F80 VanDerWaalsContact CD-CZ 3.49Å; P72-F80 HydrophobicContact CG-CD2 4.19Å; P72-F80 HydrophobicContact CG-CE1 4.14Å; P72-F80 HydrophobicContact CG-CE2 3.75Å; P72-F80 HydrophobicContact CG-CZ 3.74Å
81	T	96	Very high	90.4	Very high	42 Å²	42	62.4 Å²	62.4	26%	0.258	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.3	173.9	-53.9	0	0	0	0	109.7	I37 V38 L69 T70	I37-T81 HydrophobicContact CG2-CG2 3.18Å; V38-T81 CarbonylContact O-C 3.6Å; V38-T81 VanDerWaalsContact O-CA 3.3Å; V38-T81 WeakPolarHBondContact O-CA 3.19Å; V38-T81 WeakPolarHBondContact O-CG2 3.33Å; L69-T81 CarbonylContact C-O 3.21Å; L69-T81 WeakPolarHBondContact CA-O 3.48Å; T70-T81 PolarHBondContact N-O 2.92Å; T70-T81 PolarHBondContact O-N 3.3Å; T70-T81 VanDerWaalsContact O-N 3.1Å
82	I	97	Very high	90.6	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.7	174.2	-44.6	-172.5	0	0	0	108.5	I37 V38 F40 T67 D68 L69 I89 A92 L93 I96	I37-I82 WeakPolarHBondContact CA-O 3.49Å; V38-I82 HydrophobicContact CG2-CB 4Å; V38-I82 HydrophobicContact CG2-CG1 4.4Å; V38-I82 PolarHBondContact N-O 2.75Å; V38-I82 PolarHBondContact O-N 2.77Å; F40-I82 HydrophobicContact CD1-CD1 3.97Å; F40-I82 HydrophobicContact CD1-CG1 3.85Å; F40-I82 HydrophobicContact CE1-CD1 3.51Å; F40-I82 HydrophobicContact CE1-CG1 3.4Å; F40-I82 HydrophobicContact CZ-CD1 4.38Å; T67-I82 HydrophobicContact CG2-CG2 3.79Å; D68-I82 WeakPolarHBondContact O-CA 3.34Å; L69-I82 HydrophobicContact CD1-CD1 4.4Å; L69-I82 HydrophobicContact CD1-CG1 3.81Å; I82-I89 HydrophobicContact CB-CG1 4.22Å; I82-I89 HydrophobicContact CG2-CG1 3.76Å; I82-A92 HydrophobicContact CD1-CB 3.92Å; I82-L93 HydrophobicContact CD1-CD2 4.03Å; I82-L93 HydrophobicContact CD1-CG 4.37Å; I82-I96 HydrophobicContact CD1-CD1 4.33Å
83	N	96.3	Very high	91	Very high	49 Å²	49	59.5 Å²	59.5	26%	0.262	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.8	169.4	175.8	47.7	0	0	0	109.8	I36 I37 T67 D68	I36-N83 WeakPolarHBondContact O-CA 3.45Å; I36-N83 PolarHBondContact O-OD1 2.92Å; I37-N83 HydrophobicContact CG1-CB 4.19Å; T67-N83 CarbonylContact C-O 3.47Å; T67-N83 VanDerWaalsContact CA-O 3.28Å; T67-N83 WeakPolarHBondContact CA-O 3.17Å; T67-N83 VanDerWaalsContact CB-O 3.29Å; T67-N83 WeakPolarHBondContact CB-O 3.29Å; D68-N83 HydrophobicContact CB-CB 4.17Å; D68-N83 PolarHBondContact N-O 2.93Å; D68-N83 PolarHBondContact O-N 3.48Å; D68-N83 PolarHBondContact OD2-ND2 3.09Å
84	G	95.5	Very high	91.6	Very high	9 Å²	9	57.9 Å²	57.9	9%	0.093	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.1	-174.1	179	0	0	0	0	0	112.8	P35 I36 I89	P35-G84 CarbonylContact C-O 3.57Å; P35-G84 WeakPolarHBondContact CA-O 3.45Å; I36-G84 PolarHBondContact N-O 3.43Å; I36-G84 PolarHBondContact O-N 2.9Å; I36-G84 VanDerWaalsContact O-O 3.11Å; G84-I89 WeakPolarHBondContact O-CD1 3.49Å
85	T	93.8	Very high	92.6	Very high	23 Å²	23	49.4 Å²	49.4	14%	0.141	25%	0.246	C	C	.	.			trans	-70.3	156	173.5	65	0	0	0	0	110.8	P32 S87 N88 I89	P32-T85 WeakPolarHBondContact O-CB 2.97Å; T85-S87 PolarHBondContact O-N 2.98Å; T85-S87 VanDerWaalsContact O-N 3.16Å; T85-S87 PolarHBondContact OG1-OG 2.75Å; T85-S87 VanDerWaalsContact OG1-OG 3.04Å; T85-N88 PolarHBondContact O-N 2.96Å; T85-N88 VanDerWaalsContact OG1-CB 3.3Å; T85-N88 WeakPolarHBondContact OG1-CB 3.4Å; T85-N88 PolarHBondContact OG1-N 2.64Å; T85-N88 PolarHBondContact OG1-ND2 3.11Å; T85-N88 PolarHBondContact OG1-OD1 3.13Å; T85-I89 WeakPolarHBondContact O-CG1 3.22Å; T85-I89 PolarHBondContact O-N 3.13Å
86	A	93.1	Very high	93.8	Very high	38 Å²	38	42.5 Å²	42.5	31%	0.314	22%	0.215	S	C	.	.	H	α-helix	trans	-58.4	-29.6	178	0	0	0	0	0	113.4	I36 R90	I36-A86 HydrophobicContact CD1-CB 4.01Å; A86-R90 VanDerWaalsContact O-CG 3.29Å; A86-R90 WeakPolarHBondContact O-CG 3.45Å; A86-R90 PolarHBondContact O-N 2.8Å; A86-R90 PolarHBondContact O-NE 3.06Å
87	S	94.1	Very high	94.6	Very high	61 Å²	61	38.5 Å²	38.5	43%	0.427	20%	0.197	S	C	.	.	H	α-helix	trans	-71.3	-43.6	173.5	54.3	0	0	0	0	112	T85 R90 R91	T85-S87 PolarHBondContact O-N 2.98Å; T85-S87 VanDerWaalsContact O-N 3.16Å; T85-S87 PolarHBondContact OG1-OG 2.75Å; T85-S87 VanDerWaalsContact OG1-OG 3.04Å; S87-R90 PolarHBondContact O-N 3.39Å; S87-R91 PolarHBondContact O-N 3.19Å
88	N	95.9	Very high	95.3	Very high	23 Å²	23	41.5 Å²	41.5	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-69.7	-40.2	-177.1	-73.9	7.8	0	0	0	111.5	T65 E66 T67 T85 R90 R91 A92	T65-N88 WeakPolarHBondContact O-CB 3.41Å; T65-N88 PolarHBondContact O-ND2 3.04Å; E66-N88 PolarHBondContact O-ND2 2.92Å; T67-N88 HydrophobicContact CG2-CB 3.66Å; T85-N88 PolarHBondContact O-N 2.96Å; T85-N88 VanDerWaalsContact OG1-CB 3.3Å; T85-N88 WeakPolarHBondContact OG1-CB 3.4Å; T85-N88 PolarHBondContact OG1-N 2.64Å; T85-N88 PolarHBondContact OG1-ND2 3.11Å; T85-N88 PolarHBondContact OG1-OD1 3.13Å; N88-R90 PolarHBondContact O-N 2.63Å; N88-R91 WeakPolarHBondContact O-CB 2.79Å; N88-R91 PolarHBondContact O-N 2.7Å; N88-R91 PolarHBondContact OD1-NH2 3.46Å; N88-A92 PolarHBondContact O-N 3.34Å
89	I	96.4	Very high	95.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-45.5	173	-73.3	166.1	0	0	0	111.1	I36 V38 T67 I82 G84 T85 R91 A92 L93	I36-I89 HydrophobicContact CD1-CD1 4.01Å; I36-I89 HydrophobicContact CG1-CD1 3.4Å; I36-I89 VanDerWaalsContact CG1-CD1 3.4Å; I36-I89 WeakPolarHBondContact O-CD1 3.4Å; V38-I89 HydrophobicContact CB-CG2 4.48Å; V38-I89 HydrophobicContact CG1-CD1 4.24Å; V38-I89 HydrophobicContact CG1-CG2 4.27Å; V38-I89 HydrophobicContact CG2-CD1 4.17Å; V38-I89 HydrophobicContact CG2-CG1 4.39Å; V38-I89 HydrophobicContact CG2-CG2 3.41Å; V38-I89 VanDerWaalsContact CG2-CG2 3.41Å; T67-I89 HydrophobicContact CG2-CG1 4.47Å; I82-I89 HydrophobicContact CB-CG1 4.22Å; I82-I89 HydrophobicContact CG2-CG1 3.76Å; G84-I89 WeakPolarHBondContact O-CD1 3.49Å; T85-I89 WeakPolarHBondContact O-CG1 3.22Å; T85-I89 PolarHBondContact O-N 3.13Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 2.65Å; I89-A92 WeakPolarHBondContact O-CB 3.49Å; I89-A92 PolarHBondContact O-N 2.9Å; I89-A92 VanDerWaalsContact O-N 3.15Å; I89-L93 HydrophobicContact CG2-CD1 4.12Å; I89-L93 HydrophobicContact CG2-CG 4.44Å; I89-L93 WeakPolarHBondContact O-CG 3.31Å; I89-L93 PolarHBondContact O-N 2.84Å
90	R	95.7	Very high	95.8	Very high	118 Å²	118	40 Å²	40	45%	0.445	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-39.7	176.1	-76.7	-177.6	-69.6	163.4	-17.3	112.2	Q25 A86 S87 N88 R94	Q25-R90 VanDerWaalsContact NE2-NH1 3.15Å; Q25-R90 VanDerWaalsContact OE1-NH2 3.15Å; A86-R90 VanDerWaalsContact O-CG 3.29Å; A86-R90 WeakPolarHBondContact O-CG 3.45Å; A86-R90 PolarHBondContact O-N 2.8Å; A86-R90 PolarHBondContact O-NE 3.06Å; S87-R90 PolarHBondContact O-N 3.39Å; N88-R90 PolarHBondContact O-N 2.63Å; R90-R94 VanDerWaalsContact O-CG 3.26Å; R90-R94 WeakPolarHBondContact O-CG 3.44Å; R90-R94 PolarHBondContact O-N 3.34Å; R90-R94 VanDerWaalsContact O-N 3.09Å
91	R	97.3	Very high	95.7	Very high	96 Å²	96	42.1 Å²	42.1	36%	0.362	21%	0.205	S	C	.	.	H	α-helix	trans	-60.8	-45.2	173.4	-176	174.1	55.1	174	-3.2	110.7	T65 E66 S87 N88 I89 R94 I95	T65-R91 HydrophobicContact CG2-CB 4.38Å; T65-R91 HydrophobicContact CG2-CG 4Å; T65-R91 PolarHBondContact O-NH2 3.31Å; E66-R91 IonicContact OE1-CZ 3.96Å; E66-R91 IonicContact OE1-NH1 3.86Å; E66-R91 IonicContact OE1-NH2 3.38Å; E66-R91 PolarHBondContact OE1-NH2 2.94Å; S87-R91 PolarHBondContact O-N 3.19Å; N88-R91 WeakPolarHBondContact O-CB 2.79Å; N88-R91 PolarHBondContact O-N 2.7Å; N88-R91 PolarHBondContact OD1-NH2 3.46Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 2.65Å; R91-R94 PolarHBondContact O-N 2.94Å; R91-I95 HydrophobicContact CG-CD1 4.38Å; R91-I95 WeakPolarHBondContact O-CG1 3.33Å; R91-I95 PolarHBondContact O-N 3.28Å
92	A	97.8	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-49.5	178.3	0	0	0	0	0	112.1	I61 T65 I82 N88 I89 R94 I95 I96	I61-A92 HydrophobicContact CG2-CB 4.27Å; T65-A92 VanDerWaalsContact CG2-CA 3.46Å; T65-A92 HydrophobicContact CG2-CB 3.71Å; I82-A92 HydrophobicContact CD1-CB 3.92Å; N88-A92 PolarHBondContact O-N 3.34Å; I89-A92 WeakPolarHBondContact O-CB 3.49Å; I89-A92 PolarHBondContact O-N 2.9Å; I89-A92 VanDerWaalsContact O-N 3.15Å; A92-R94 VanDerWaalsContact C-N 3.27Å; A92-R94 PolarHBondContact O-N 3.2Å; A92-I95 PolarHBondContact O-N 3.45Å; A92-I95 VanDerWaalsContact O-N 3.13Å; A92-I96 VanDerWaalsContact O-CG1 3.27Å; A92-I96 WeakPolarHBondContact O-CG1 3.47Å; A92-I96 PolarHBondContact O-N 2.94Å
93	L	97.7	Very high	95.1	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-57.9	-39	177.1	-67.4	174.7	0	0	0	112	F40 I82 I89 I96 E97 F114 Y127	F40-L93 HydrophobicContact CD1-CD2 4.19Å; F40-L93 HydrophobicContact CG-CD2 4.25Å; I82-L93 HydrophobicContact CD1-CD2 4.03Å; I82-L93 HydrophobicContact CD1-CG 4.37Å; I89-L93 HydrophobicContact CG2-CD1 4.12Å; I89-L93 HydrophobicContact CG2-CG 4.44Å; I89-L93 WeakPolarHBondContact O-CG 3.31Å; I89-L93 PolarHBondContact O-N 2.84Å; L93-I96 PolarHBondContact O-N 2.75Å; L93-E97 WeakPolarHBondContact O-CG 3.4Å; L93-E97 PolarHBondContact O-N 3.38Å; L93-F114 HydrophobicContact CB-CD2 3.79Å; L93-F114 HydrophobicContact CB-CE2 4.02Å; L93-F114 HydrophobicContact CD2-CD1 4.22Å; L93-F114 HydrophobicContact CD2-CD2 3.83Å; L93-F114 HydrophobicContact CD2-CE1 4.01Å; L93-F114 HydrophobicContact CD2-CE2 3.63Å; L93-F114 HydrophobicContact CD2-CG 4.14Å; L93-F114 HydrophobicContact CD2-CZ 3.72Å; L93-F114 HydrophobicContact CG-CD2 4.32Å; L93-F114 HydrophobicContact CG-CE2 4.43Å; L93-F114 WeakPolarHBondContact O-CE2 3.36Å; L93-Y127 HydrophobicContact CD1-CD2 4.1Å; L93-Y127 HydrophobicContact CD1-CE2 4.19Å
94	R	97.2	Very high	94.3	Very high	151 Å²	151	50 Å²	50	57%	0.57	24%	0.244	S	C	*	.	H	α-helix	trans	-67	-39.2	176	-71.2	-68.1	-178.7	-161.3	1	113.4	R90 R91 A92 I96 E97 K98	R90-R94 VanDerWaalsContact O-CG 3.26Å; R90-R94 WeakPolarHBondContact O-CG 3.44Å; R90-R94 PolarHBondContact O-N 3.34Å; R90-R94 VanDerWaalsContact O-N 3.09Å; R91-R94 PolarHBondContact O-N 2.94Å; A92-R94 VanDerWaalsContact C-N 3.27Å; A92-R94 PolarHBondContact O-N 3.2Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-E97 WeakPolarHBondContact CD-OE2 3.48Å; R94-E97 IonicContact CZ-OE2 3.26Å; R94-E97 IonicContact NE-OE2 3.04Å; R94-E97 IonicContact NH1-OE1 3.7Å; R94-E97 IonicContact NH1-OE2 2.81Å; R94-E97 PolarHBondContact NH1-OE2 2.88Å; R94-K98 WeakPolarHBondContact O-CB 3.47Å; R94-K98 PolarHBondContact O-N 3.38Å
95	I	97.6	Very high	93.5	Very high	41 Å²	41	51 Å²	51	21%	0.21	25%	0.25	C	C	.	.	H	α-helix	trans	-65	-42.4	174.7	-68.1	175.1	0	0	0	110	I61 T65 R91 A92 K98 I99	I61-I95 HydrophobicContact CG1-CG2 3.99Å; T65-I95 HydrophobicContact CG2-CD1 3.64Å; R91-I95 HydrophobicContact CG-CD1 4.38Å; R91-I95 WeakPolarHBondContact O-CG1 3.33Å; R91-I95 PolarHBondContact O-N 3.28Å; A92-I95 PolarHBondContact O-N 3.45Å; A92-I95 VanDerWaalsContact O-N 3.13Å; I95-K98 WeakPolarHBondContact O-CB 3.46Å; I95-K98 PolarHBondContact O-N 3.02Å; I95-I99 HydrophobicContact CG2-CD1 3.75Å; I95-I99 HydrophobicContact CG2-CG1 4.4Å; I95-I99 WeakPolarHBondContact O-CG1 3.36Å; I95-I99 PolarHBondContact O-N 2.81Å
96	I	96.8	Very high	92.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.3	-47.9	177	-66.2	169.8	0	0	0	111.1	F40 L50 I61 I82 A92 L93 R94 K98 I99 I100 F114	F40-I96 HydrophobicContact CE1-CD1 4.28Å; F40-I96 HydrophobicContact CE2-CD1 4.17Å; F40-I96 HydrophobicContact CZ-CD1 3.64Å; L50-I96 HydrophobicContact CD1-CB 4.32Å; L50-I96 HydrophobicContact CD1-CD1 4.35Å; L50-I96 HydrophobicContact CD1-CG1 3.77Å; L50-I96 HydrophobicContact CD1-CG2 3.94Å; L50-I96 HydrophobicContact CD2-CD1 4.49Å; L50-I96 HydrophobicContact CD2-CG2 4.13Å; I61-I96 HydrophobicContact CD1-CG1 4.08Å; I61-I96 HydrophobicContact CG2-CG1 4.34Å; I82-I96 HydrophobicContact CD1-CD1 4.33Å; A92-I96 VanDerWaalsContact O-CG1 3.27Å; A92-I96 WeakPolarHBondContact O-CG1 3.47Å; A92-I96 PolarHBondContact O-N 2.94Å; L93-I96 PolarHBondContact O-N 2.75Å; R94-I96 VanDerWaalsContact C-N 3.34Å; I96-K98 VanDerWaalsContact C-N 3.27Å; I96-K98 PolarHBondContact O-N 3.29Å; I96-I99 PolarHBondContact O-N 3.42Å; I96-I100 HydrophobicContact CG2-CG1 4.42Å; I96-I100 WeakPolarHBondContact O-CG1 3.42Å; I96-I100 PolarHBondContact O-N 3.02Å; I96-F114 HydrophobicContact CB-CE2 3.98Å; I96-F114 HydrophobicContact CB-CZ 4.36Å; I96-F114 HydrophobicContact CG2-CE2 3.73Å; I96-F114 HydrophobicContact CG2-CZ 3.72Å
97	E	95.5	Very high	91.7	Very high	19 Å²	19	59 Å²	59	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-54.1	-45.9	173.9	-75.9	173.5	174.6	0	0	111.3	L93 R94 I100 N101 F114 L129	L93-E97 WeakPolarHBondContact O-CG 3.4Å; L93-E97 PolarHBondContact O-N 3.38Å; R94-E97 WeakPolarHBondContact CD-OE2 3.48Å; R94-E97 IonicContact CZ-OE2 3.26Å; R94-E97 IonicContact NE-OE2 3.04Å; R94-E97 IonicContact NH1-OE1 3.7Å; R94-E97 IonicContact NH1-OE2 2.81Å; R94-E97 PolarHBondContact NH1-OE2 2.88Å; E97-I100 PolarHBondContact O-N 3.06Å; E97-N101 VanDerWaalsContact O-CB 3.32Å; E97-N101 WeakPolarHBondContact O-CB 3.46Å; E97-N101 VanDerWaalsContact O-CG 3.29Å; E97-N101 PolarHBondContact O-N 2.8Å; E97-N101 PolarHBondContact O-ND2 3.36Å; E97-F114 HydrophobicContact CG-CD2 3.54Å; E97-F114 HydrophobicContact CG-CE2 3.97Å; E97-F114 WeakPolarHBondContact OE1-CB 3.5Å; E97-F114 PolarHBondContact OE1-N 3.04Å; E97-L129 HydrophobicContact CG-CD1 3.96Å
98	K	95.1	Very high	90.6	Very high	127 Å²	127	61.9 Å²	61.9	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-51	-179.1	-176.9	-177.8	172.4	-172.2	0	111.4	R94 I95 I96 I100 N101 E102	R94-K98 WeakPolarHBondContact O-CB 3.47Å; R94-K98 PolarHBondContact O-N 3.38Å; I95-K98 WeakPolarHBondContact O-CB 3.46Å; I95-K98 PolarHBondContact O-N 3.02Å; I96-K98 VanDerWaalsContact C-N 3.27Å; I96-K98 PolarHBondContact O-N 3.29Å; K98-I100 VanDerWaalsContact C-N 3.32Å; K98-I100 PolarHBondContact O-N 2.86Å; K98-N101 PolarHBondContact O-N 3.3Å; K98-E102 WeakPolarHBondContact CE-OE1 3.34Å; K98-E102 HydrophobicContact CG-CG 4.4Å; K98-E102 WeakPolarHBondContact CG-OE1 3.24Å; K98-E102 IonicContact NZ-OE1 3.67Å; K98-E102 WeakPolarHBondContact O-CB 3.29Å; K98-E102 WeakPolarHBondContact O-CG 3.48Å; K98-E102 PolarHBondContact O-N 3.5Å
99	I	94.5	Very high	89.8	Confident	26 Å²	26	63.1 Å²	63.1	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-55.9	-48.1	178.7	-71.9	166.8	0	0	0	110.8	R57 I61 I95 I96 N101 E102 D103	R57-I99 HydrophobicContact CG-CD1 4.27Å; I61-I99 HydrophobicContact CD1-CD1 3.69Å; I61-I99 HydrophobicContact CG1-CD1 4.01Å; I95-I99 HydrophobicContact CG2-CD1 3.75Å; I95-I99 HydrophobicContact CG2-CG1 4.4Å; I95-I99 WeakPolarHBondContact O-CG1 3.36Å; I95-I99 PolarHBondContact O-N 2.81Å; I96-I99 PolarHBondContact O-N 3.42Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 3.23Å; I99-E102 PolarHBondContact O-N 2.85Å; I99-D103 WeakPolarHBondContact O-CB 3.48Å; I99-D103 PolarHBondContact O-N 3.08Å
100	I	93.6	Very high	89.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-66.5	-38.5	-178.4	-65.9	-59.6	0	0	0	111.5	M46 T49 L50 I96 E97 K98 E102 C104 Y112 L129	M46-I100 HydrophobicContact CB-CD1 3.95Å; M46-I100 HydrophobicContact CE-CG2 4.01Å; M46-I100 HydrophobicContact CG-CD1 4.5Å; M46-I100 HydrophobicContact SD-CD1 4.42Å; M46-I100 HydrophobicContact SD-CG2 3.47Å; M46-I100 WeakPolarHBondContact SD-CG2 3.39Å; T49-I100 HydrophobicContact CG2-CD1 4.15Å; L50-I100 HydrophobicContact CB-CD1 4.46Å; I96-I100 HydrophobicContact CG2-CG1 4.42Å; I96-I100 WeakPolarHBondContact O-CG1 3.42Å; I96-I100 PolarHBondContact O-N 3.02Å; E97-I100 PolarHBondContact O-N 3.06Å; K98-I100 VanDerWaalsContact C-N 3.32Å; K98-I100 PolarHBondContact O-N 2.86Å; I100-E102 VanDerWaalsContact C-N 3.35Å; I100-C104 HydrophobicContact CG2-CB 4.39Å; I100-C104 VanDerWaalsContact O-CB 3.23Å; I100-C104 WeakPolarHBondContact O-CB 3.32Å; I100-C104 PolarHBondContact O-N 2.96Å; I100-Y112 HydrophobicContact CG2-CD2 4.05Å; I100-Y112 HydrophobicContact CG2-CG 4.01Å; I100-L129 HydrophobicContact CB-CD2 4.1Å; I100-L129 HydrophobicContact CG1-CD2 3.8Å; I100-L129 HydrophobicContact CG2-CD2 3.92Å
101	N	92.7	Very high	89.1	Confident	43 Å²	43	64.5 Å²	64.5	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-71	-29.9	177.4	-74	-51.1	0	0	0	113.2	E97 K98 I99 C105 A111 Y112	E97-N101 VanDerWaalsContact O-CB 3.32Å; E97-N101 WeakPolarHBondContact O-CB 3.46Å; E97-N101 VanDerWaalsContact O-CG 3.29Å; E97-N101 PolarHBondContact O-N 2.8Å; E97-N101 PolarHBondContact O-ND2 3.36Å; K98-N101 PolarHBondContact O-N 3.3Å; I99-N101 VanDerWaalsContact C-N 3.34Å; I99-N101 PolarHBondContact O-N 3.23Å; N101-C105 WeakPolarHBondContact O-CB 3.4Å; N101-C105 PolarHBondContact OD1-SG 3.43Å; N101-A111 VanDerWaalsContact OD1-CA 3.29Å; N101-A111 WeakPolarHBondContact OD1-CA 3.26Å; N101-A111 WeakPolarHBondContact OD1-CB 3.33Å; N101-Y112 PolarHBondContact ND2-O 2.8Å; N101-Y112 PolarHBondContact OD1-N 3.27Å
102	E	91.5	Very high	88.9	Confident	125 Å²	125	60.8 Å²	60.8	58%	0.584	34%	0.341	S	S	*	.	H	α-helix	trans	-77.9	-40.8	176.5	-72.7	174.3	170.5	0	0	112.2	K98 I99 I100	K98-E102 WeakPolarHBondContact CE-OE1 3.34Å; K98-E102 HydrophobicContact CG-CG 4.4Å; K98-E102 WeakPolarHBondContact CG-OE1 3.24Å; K98-E102 IonicContact NZ-OE1 3.67Å; K98-E102 WeakPolarHBondContact O-CB 3.29Å; K98-E102 WeakPolarHBondContact O-CG 3.48Å; K98-E102 PolarHBondContact O-N 3.5Å; I99-E102 PolarHBondContact O-N 2.85Å; I100-E102 VanDerWaalsContact C-N 3.35Å
103	D	88.2	Confident	88.7	Confident	90 Å²	90	62.7 Å²	62.7	48%	0.481	36%	0.357	S	S	.	.	H	α-helix	trans	-92.7	-28.1	-171.9	-75.1	3	0	0	0	113.9	T49 R57 I99	T49-D103 HydrophobicContact CG2-CB 3.59Å; R57-D103 IonicContact CZ-OD2 2.75Å; R57-D103 IonicContact NH1-OD2 3.49Å; R57-D103 PolarHBondContact NH1-OD2 3.29Å; R57-D103 IonicContact NH2-OD2 3.77Å; R57-D103 PolarHBondContact NH2-OD2 3.39Å; I99-D103 WeakPolarHBondContact O-CB 3.48Å; I99-D103 PolarHBondContact O-N 3.08Å
104	C	81.3	Confident	88.7	Confident	43 Å²	43	63.3 Å²	63.3	29%	0.291	36%	0.359	S	S	.	.	H	α-helix	trans	-112.6	-17.3	-171.2	-61.3	0	0	0	0	114.8	M46 I100	M46-C104 HydrophobicContact CE-CB 3.69Å; I100-C104 HydrophobicContact CG2-CB 4.39Å; I100-C104 VanDerWaalsContact O-CB 3.23Å; I100-C104 WeakPolarHBondContact O-CB 3.32Å; I100-C104 PolarHBondContact O-N 2.96Å
105	C	76.7	Confident	88.5	Confident	30 Å²	30	59.6 Å²	59.6	20%	0.203	35%	0.35	C	S	.	.			trans	-94.4	129	-170.5	-63.9	0	0	0	0	112.5	N101 Y112	N101-C105 WeakPolarHBondContact O-CB 3.4Å; N101-C105 PolarHBondContact OD1-SG 3.43Å; C105-Y112 WeakPolarHBondContact SG-CD2 3.31Å
106	D	77	Confident	88.3	Confident	97 Å²	97	61 Å²	61	52%	0.519	37%	0.368	S	S	.	.			trans	-68.2	137.1	160.3	-173.4	-40	0	0	0	108.1	C108 S109	D106-C108 PolarHBondContact O-N 3.45Å; D106-C108 WeakPolarHBondContact OD1-CB 3.46Å; D106-C108 PolarHBondContact OD1-N 3.15Å; D106-S109 PolarHBondContact N-OG 2.76Å; D106-S109 WeakPolarHBondContact O-CB 3.23Å; D106-S109 PolarHBondContact O-N 3.41Å; D106-S109 PolarHBondContact O-OG 3.3Å
107	P	72.4	Confident	88.1	Confident	133 Å²	133	61.4 Å²	61.4	86%	0.864	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	-24.2	172.2	-27.7	32.6	0	0	0	114.9
108	C	71.9	Confident	87.7	Confident	121 Å²	121	64.8 Å²	64.8	82%	0.818	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-8.6	177.7	-57.4	0	0	0	0	114.3	D106	D106-C108 PolarHBondContact O-N 3.45Å; D106-C108 WeakPolarHBondContact OD1-CB 3.46Å; D106-C108 PolarHBondContact OD1-N 3.15Å
109	S	79.9	Confident	87.2	Confident	48 Å²	48	61.1 Å²	61.1	34%	0.336	38%	0.38	S	S	.	.	S	Bend	trans	-94.8	152.2	-177.9	68.3	0	0	0	0	112	D106	D106-S109 PolarHBondContact N-OG 2.76Å; D106-S109 WeakPolarHBondContact O-CB 3.23Å; D106-S109 PolarHBondContact O-N 3.41Å; D106-S109 PolarHBondContact O-OG 3.3Å
110	S	85.8	Confident	86.7	Confident	82 Å²	82	64.5 Å²	64.5	57%	0.573	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-64.7	139.4	171.3	-59.6	0	0	0	0	110.1	N131	S110-N131 VanDerWaalsContact O-CB 3.28Å; S110-N131 WeakPolarHBondContact O-CB 3.5Å
111	A	90.5	Very high	86	Confident	69 Å²	69	72.4 Å²	72.4	57%	0.57	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-64.1	144.7	175.4	0	0	0	0	0	110.9	N101	N101-A111 VanDerWaalsContact OD1-CA 3.29Å; N101-A111 WeakPolarHBondContact OD1-CA 3.26Å; N101-A111 WeakPolarHBondContact OD1-CB 3.33Å
112	Y	93.2	Very high	85.3	Confident	18 Å²	18	78.4 Å²	78.4	7%	0.071	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-72.5	138.5	168.2	-75.2	-94.8	0	0	0	110.6	P43 M46 I100 N101 C105 L129 C130 N131	P43-Y112 HydrophobicContact CG-CE1 3.9Å; M46-Y112 HydrophobicContact CE-CD1 4.43Å; M46-Y112 HydrophobicContact CE-CD2 4.07Å; M46-Y112 HydrophobicContact CE-CE1 3.77Å; M46-Y112 HydrophobicContact CE-CE2 3.36Å; M46-Y112 VanDerWaalsContact CE-OH 3.23Å; M46-Y112 WeakPolarHBondContact CE-OH 3.4Å; M46-Y112 HydrophobicContact SD-CD1 4.32Å; M46-Y112 HydrophobicContact SD-CE1 3.97Å; M46-Y112 HydrophobicContact SD-CE2 4.38Å; I100-Y112 HydrophobicContact CG2-CD2 4.05Å; I100-Y112 HydrophobicContact CG2-CG 4.01Å; N101-Y112 PolarHBondContact ND2-O 2.8Å; N101-Y112 PolarHBondContact OD1-N 3.27Å; C105-Y112 WeakPolarHBondContact SG-CD2 3.31Å; Y112-L129 HydrophobicContact CD1-CG 4.02Å; Y112-L129 HydrophobicContact CG-CG 4.38Å; Y112-C130 WeakPolarHBondContact CA-O 3.39Å; Y112-N131 HydrophobicContact CD1-CB 3.85Å; Y112-N131 HydrophobicContact CD2-CB 3.78Å; Y112-N131 HydrophobicContact CE1-CB 3.84Å; Y112-N131 WeakPolarHBondContact CE1-OD1 3.29Å; Y112-N131 HydrophobicContact CE2-CB 3.76Å; Y112-N131 VanDerWaalsContact CE2-ND2 3.27Å; Y112-N131 WeakPolarHBondContact CE2-ND2 3.48Å; Y112-N131 HydrophobicContact CG-CB 3.83Å; Y112-N131 VanDerWaalsContact CZ-ND2 3.28Å; Y112-N131 PolarHBondContact OH-ND2 3.26Å; Y112-N131 PolarHBondContact OH-OD1 2.85Å
113	A	94.6	Very high	84.7	Confident	41 Å²	41	74 Å²	74	34%	0.339	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147	173.1	0	0	0	0	0	110.1	C130	A113-C130 PolarHBondContact N-O 2.99Å; A113-C130 PolarHBondContact O-N 3.09Å; A113-C130 VanDerWaalsContact O-N 3.08Å
114	F	95.9	Very high	84.3	Confident	26 Å²	26	72.3 Å²	72.3	11%	0.114	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.4	169.2	-77.4	-71	0	0	0	110.1	F40 I42 L93 I96 E97 I128 L129	F40-F114 HydrophobicContact CB-CE1 3.96Å; F40-F114 AromaticContact CD2-CE1 3.54Å; F40-F114 HydrophobicContact CD2-CE1 3.54Å; F40-F114 AromaticContact CD2-CZ 3.69Å; F40-F114 HydrophobicContact CD2-CZ 3.69Å; F40-F114 HydrophobicContact CE2-CE1 4.31Å; F40-F114 HydrophobicContact CE2-CZ 4Å; F40-F114 AromaticContact CG-CE1 3.98Å; F40-F114 HydrophobicContact CG-CE1 3.98Å; F40-F114 HydrophobicContact CG-CZ 4.31Å; I42-F114 HydrophobicContact CG2-CE1 4.37Å; I42-F114 HydrophobicContact CG2-CZ 4.34Å; L93-F114 HydrophobicContact CB-CD2 3.79Å; L93-F114 HydrophobicContact CB-CE2 4.02Å; L93-F114 HydrophobicContact CD2-CD1 4.22Å; L93-F114 HydrophobicContact CD2-CD2 3.83Å; L93-F114 HydrophobicContact CD2-CE1 4.01Å; L93-F114 HydrophobicContact CD2-CE2 3.63Å; L93-F114 HydrophobicContact CD2-CG 4.14Å; L93-F114 HydrophobicContact CD2-CZ 3.72Å; L93-F114 HydrophobicContact CG-CD2 4.32Å; L93-F114 HydrophobicContact CG-CE2 4.43Å; L93-F114 WeakPolarHBondContact O-CE2 3.36Å; I96-F114 HydrophobicContact CB-CE2 3.98Å; I96-F114 HydrophobicContact CB-CZ 4.36Å; I96-F114 HydrophobicContact CG2-CE2 3.73Å; I96-F114 HydrophobicContact CG2-CZ 3.72Å; E97-F114 HydrophobicContact CG-CD2 3.54Å; E97-F114 HydrophobicContact CG-CE2 3.97Å; E97-F114 WeakPolarHBondContact OE1-CB 3.5Å; E97-F114 PolarHBondContact OE1-N 3.04Å; F114-I128 WeakPolarHBondContact CA-O 3.16Å; F114-L129 HydrophobicContact CD1-CB 3.95Å; F114-L129 HydrophobicContact CD1-CD1 4.21Å; F114-L129 HydrophobicContact CD2-CD1 3.91Å; F114-L129 HydrophobicContact CE1-CB 3.63Å; F114-L129 HydrophobicContact CE1-CD1 4.21Å; F114-L129 HydrophobicContact CE1-CG 4.41Å; F114-L129 HydrophobicContact CE2-CD1 3.88Å; F114-L129 HydrophobicContact CG-CD1 4.07Å; F114-L129 HydrophobicContact CZ-CB 4.04Å; F114-L129 HydrophobicContact CZ-CD1 4.04Å; F114-L129 HydrophobicContact CZ-CD2 4.45Å; F114-L129 HydrophobicContact CZ-CG 4.4Å
115	I	94.2	Very high	84.6	Confident	73 Å²	73	70.3 Å²	70.3	37%	0.374	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	161.2	168.3	63.6	170.7	0	0	0	109	D117 Y127 I128 C130 I134	I115-D117 PolarHBondContact O-N 2.72Å; I115-Y127 CarbonylContact O-C 3.53Å; I115-Y127 VanDerWaalsContact O-CA 3.29Å; I115-Y127 WeakPolarHBondContact O-CA 3.44Å; I115-I128 HydrophobicContact CD1-CG2 4.16Å; I115-I128 HydrophobicContact CG1-CG2 3.57Å; I115-I128 PolarHBondContact N-O 2.81Å; I115-I128 PolarHBondContact O-N 3Å; I115-C130 VanDerWaalsContact CD1-SG 3.57Å; I115-I134 HydrophobicContact CD1-CD1 4.28Å
116	A	93.4	Very high	85.4	Confident	71 Å²	71	71.3 Å²	71.3	59%	0.587	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.4	134.8	168.7	0	0	0	0	0	109.3	P118 D126	A116-P118 VanDerWaalsContact O-CD 3.26Å; A116-P118 WeakPolarHBondContact O-CD 2.9Å; A116-D126 WeakPolarHBondContact CA-O 3.4Å
117	D	91.1	Very high	86.3	Confident	7 Å²	7	70.6 Å²	70.6	4%	0.037	43%	0.433	C	S	.	.			trans	-69.6	116.2	-179.8	-170.2	-5.8	0	0	0	110.3	R41 I115 N119 M120 S123 T125 D126 I128	R41-D117 IonicContact CZ-OD1 3.13Å; R41-D117 IonicContact CZ-OD2 2.7Å; R41-D117 VanDerWaalsContact CZ-OD2 3.22Å; R41-D117 IonicContact NE-OD1 3.92Å; R41-D117 IonicContact NE-OD2 3.79Å; R41-D117 PolarHBondContact NE-OD2 3.39Å; R41-D117 IonicContact NH2-OD1 3.77Å; R41-D117 PolarHBondContact NH2-OD1 2.81Å; R41-D117 IonicContact NH2-OD2 3.19Å; R41-D117 PolarHBondContact NH2-OD2 3.2Å; R41-D117 VanDerWaalsContact NH2-OD2 3.13Å; I115-D117 PolarHBondContact O-N 2.72Å; D117-N119 PolarHBondContact O-N 2.93Å; D117-N119 VanDerWaalsContact O-N 3.13Å; D117-N119 PolarHBondContact OD1-N 2.93Å; D117-M120 HydrophobicContact CB-CB 4.49Å; D117-M120 WeakPolarHBondContact O-CB 3.4Å; D117-M120 PolarHBondContact O-N 2.96Å; D117-M120 VanDerWaalsContact O-N 3.11Å; D117-S123 WeakPolarHBondContact OD2-CB 3.27Å; D117-S123 PolarHBondContact OD2-OG 3.07Å; D117-T125 VanDerWaalsContact CB-O 3.22Å; D117-T125 WeakPolarHBondContact CB-O 3.38Å; D117-T125 PolarHBondContact OD2-OG1 3.32Å; D117-D126 PolarHBondContact N-O 3.37Å; D117-I128 HydrophobicContact CB-CB 4.45Å; D117-I128 HydrophobicContact CB-CG2 4.33Å
118	P	88.5	Confident	87.3	Confident	90 Å²	90	64.3 Å²	64.3	58%	0.584	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-17	176.9	27.8	-34.9	0	0	0	112.6	A116 I134	A116-P118 VanDerWaalsContact O-CD 3.26Å; A116-P118 WeakPolarHBondContact O-CD 2.9Å; P118-I134 HydrophobicContact CG-CD1 3.48Å; P118-I134 VanDerWaalsContact CG-CD1 3.48Å
119	N	84.5	Confident	88.4	Confident	50 Å²	50	58.5 Å²	58.5	27%	0.267	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	19.6	177.7	-66.1	-35.2	0	0	0	112.6	D117 D121 Q122 S123 E136	D117-N119 PolarHBondContact O-N 2.93Å; D117-N119 VanDerWaalsContact O-N 3.13Å; D117-N119 PolarHBondContact OD1-N 2.93Å; N119-D121 PolarHBondContact O-N 2.85Å; N119-Q122 WeakPolarHBondContact O-CA 3.23Å; N119-Q122 PolarHBondContact O-N 2.91Å; N119-S123 PolarHBondContact O-N 2.86Å; N119-S123 PolarHBondContact O-OG 3.38Å; N119-E136 PolarHBondContact ND2-OE1 2.72Å
120	M	83.2	Confident	89.1	Confident	98 Å²	98	56.7 Å²	56.7	48%	0.483	34%	0.339	S	S	.	.	H	α-helix	trans	-45.6	-42.4	-176.1	178.8	-178	161.6	0	0	113.6	D117 Q122 G124	D117-M120 HydrophobicContact CB-CB 4.49Å; D117-M120 WeakPolarHBondContact O-CB 3.4Å; D117-M120 PolarHBondContact O-N 2.96Å; D117-M120 VanDerWaalsContact O-N 3.11Å; M120-Q122 PolarHBondContact O-N 3.18Å; M120-G124 WeakPolarHBondContact O-CA 3.35Å; M120-G124 PolarHBondContact O-N 2.97Å
121	D	79.9	Confident	89.3	Confident	165 Å²	165	54.6 Å²	54.6	88%	0.882	32%	0.322	S	S	*	.	H	α-helix	trans	-64.4	-23.6	179	-64.4	-30	0	0	0	114	N119	N119-D121 PolarHBondContact O-N 2.85Å
122	Q	78.4	Confident	89.2	Confident	169 Å²	169	53.9 Å²	53.9	79%	0.79	32%	0.322	S	S	*	.	H	α-helix	trans	-104.2	-40.1	-177.4	-59.8	177.7	28.8	0	0	112.5	N119 M120	N119-Q122 WeakPolarHBondContact O-CA 3.23Å; N119-Q122 PolarHBondContact O-N 2.91Å; M120-Q122 PolarHBondContact O-N 3.18Å
123	S	77.1	Confident	89	Confident	33 Å²	33	59.3 Å²	59.3	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-81.7	-26.9	-178.8	61.3	0	0	0	0	112.2	D117 N119 T125	D117-S123 WeakPolarHBondContact OD2-CB 3.27Å; D117-S123 PolarHBondContact OD2-OG 3.07Å; N119-S123 PolarHBondContact O-N 2.86Å; N119-S123 PolarHBondContact O-OG 3.38Å; S123-T125 WeakPolarHBondContact CB-OG1 3.49Å; S123-T125 PolarHBondContact O-N 3.37Å; S123-T125 PolarHBondContact OG-N 2.74Å; S123-T125 PolarHBondContact OG-OG1 2.89Å
124	G	80.5	Confident	88.7	Confident	55 Å²	55	59.7 Å²	59.7	57%	0.567	35%	0.353	S	S	*	.			trans	66.2	19.9	-168.9	0	0	0	0	0	112.7	S39 M120	S39-G124 PolarHBondContact OG-O 2.91Å; M120-G124 WeakPolarHBondContact O-CA 3.35Å; M120-G124 PolarHBondContact O-N 2.97Å
125	T	88.6	Confident	88.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	37%	0.367	C	S	.	.			trans	-109.4	137.6	177.7	48.9	0	0	0	0	113.2	S39 R41 I79 D117 S123	S39-T125 VanDerWaalsContact OG-CA 3.29Å; S39-T125 WeakPolarHBondContact OG-CA 3.25Å; R41-T125 HydrophobicContact CB-CG2 4.33Å; R41-T125 VanDerWaalsContact CD-OG1 3.31Å; R41-T125 WeakPolarHBondContact CD-OG1 3.28Å; R41-T125 HydrophobicContact CG-CG2 4.42Å; R41-T125 PolarHBondContact NE-OG1 3.28Å; I79-T125 HydrophobicContact CB-CG2 4.16Å; I79-T125 HydrophobicContact CD1-CG2 3.74Å; I79-T125 HydrophobicContact CG1-CG2 3.66Å; I79-T125 HydrophobicContact CG2-CG2 3.5Å; D117-T125 VanDerWaalsContact CB-O 3.22Å; D117-T125 WeakPolarHBondContact CB-O 3.38Å; D117-T125 PolarHBondContact OD2-OG1 3.32Å; S123-T125 WeakPolarHBondContact CB-OG1 3.49Å; S123-T125 PolarHBondContact O-N 3.37Å; S123-T125 PolarHBondContact OG-N 2.74Å; S123-T125 PolarHBondContact OG-OG1 2.89Å
126	D	92.7	Very high	88.1	Confident	51 Å²	51	61.7 Å²	61.7	27%	0.273	36%	0.363	S	S	.	.	S	Bend	trans	-76.1	-40.9	179.2	-54.5	-77.3	0	0	0	111.6	V38 S39 A116 D117	V38-D126 WeakPolarHBondContact CA-OD2 3.41Å; S39-D126 PolarHBondContact N-OD2 3.28Å; S39-D126 WeakPolarHBondContact O-CB 3.26Å; S39-D126 PolarHBondContact O-N 2.91Å; S39-D126 PolarHBondContact OG-N 3.37Å; S39-D126 PolarHBondContact OG-OD2 2.94Å; A116-D126 WeakPolarHBondContact CA-O 3.4Å; D117-D126 PolarHBondContact N-O 3.37Å
127	Y	95.6	Very high	87.9	Confident	83 Å²	83	61.4 Å²	61.4	33%	0.325	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	150.6	-176	-58.8	-75.2	0	0	0	113.5	V38 S39 F40 R41 L93 I115	V38-Y127 HydrophobicContact CB-CD2 4.45Å; V38-Y127 HydrophobicContact CB-CE2 4.23Å; V38-Y127 HydrophobicContact CG1-CE2 4.22Å; S39-Y127 PolarHBondContact O-N 3.42Å; S39-Y127 VanDerWaalsContact O-N 3.09Å; F40-Y127 CarbonylContact C-O 3.58Å; F40-Y127 WeakPolarHBondContact CA-O 3.31Å; R41-Y127 PolarHBondContact N-O 3.1Å; L93-Y127 HydrophobicContact CD1-CD2 4.1Å; L93-Y127 HydrophobicContact CD1-CE2 4.19Å; I115-Y127 CarbonylContact O-C 3.53Å; I115-Y127 VanDerWaalsContact O-CA 3.29Å; I115-Y127 WeakPolarHBondContact O-CA 3.44Å
128	I	94.7	Very high	87.8	Confident	0 Å²	0	65 Å²	65	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	132.9	172.8	-176	168.9	0	0	0	110.5	R41 F114 I115 D117 I134 Y139	R41-I128 HydrophobicContact CG-CB 4.01Å; R41-I128 HydrophobicContact CG-CD1 4.23Å; R41-I128 HydrophobicContact CG-CG1 3.88Å; R41-I128 WeakPolarHBondContact O-CA 3.43Å; F114-I128 WeakPolarHBondContact CA-O 3.16Å; I115-I128 HydrophobicContact CD1-CG2 4.16Å; I115-I128 HydrophobicContact CG1-CG2 3.57Å; I115-I128 PolarHBondContact N-O 2.81Å; I115-I128 PolarHBondContact O-N 3Å; D117-I128 HydrophobicContact CB-CB 4.45Å; D117-I128 HydrophobicContact CB-CG2 4.33Å; I128-I134 HydrophobicContact CD1-CD1 3.98Å; I128-I134 HydrophobicContact CD1-CG1 4.13Å; I128-I134 HydrophobicContact CD1-CG2 3.7Å; I128-I134 HydrophobicContact CG2-CD1 3.96Å; I128-Y139 HydrophobicContact CD1-CD1 4.17Å; I128-Y139 HydrophobicContact CD1-CD2 4.3Å; I128-Y139 HydrophobicContact CD1-CE1 3.62Å; I128-Y139 HydrophobicContact CD1-CE2 3.78Å; I128-Y139 HydrophobicContact CD1-CG 4.48Å; I128-Y139 HydrophobicContact CG1-CD1 4.31Å; I128-Y139 HydrophobicContact CG1-CE1 3.53Å
129	L	94.9	Very high	87.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	111.2	173.9	-172.1	68.1	0	0	0	109.7	R41 I42 P43 E97 I100 Y112 F114 Y139	R41-L129 PolarHBondContact O-N 3Å; I42-L129 HydrophobicContact CB-CB 4.23Å; I42-L129 HydrophobicContact CB-CD2 4.19Å; I42-L129 HydrophobicContact CG2-CB 3.72Å; I42-L129 HydrophobicContact CG2-CD2 3.78Å; I42-L129 HydrophobicContact CG2-CG 4.41Å; P43-L129 WeakPolarHBondContact CD-O 3.24Å; E97-L129 HydrophobicContact CG-CD1 3.96Å; I100-L129 HydrophobicContact CB-CD2 4.1Å; I100-L129 HydrophobicContact CG1-CD2 3.8Å; I100-L129 HydrophobicContact CG2-CD2 3.92Å; Y112-L129 HydrophobicContact CD1-CG 4.02Å; Y112-L129 HydrophobicContact CG-CG 4.38Å; F114-L129 HydrophobicContact CD1-CB 3.95Å; F114-L129 HydrophobicContact CD1-CD1 4.21Å; F114-L129 HydrophobicContact CD2-CD1 3.91Å; F114-L129 HydrophobicContact CE1-CB 3.63Å; F114-L129 HydrophobicContact CE1-CD1 4.21Å; F114-L129 HydrophobicContact CE1-CG 4.41Å; F114-L129 HydrophobicContact CE2-CD1 3.88Å; F114-L129 HydrophobicContact CG-CD1 4.07Å; F114-L129 HydrophobicContact CZ-CB 4.04Å; F114-L129 HydrophobicContact CZ-CD1 4.04Å; F114-L129 HydrophobicContact CZ-CD2 4.45Å; F114-L129 HydrophobicContact CZ-CG 4.4Å; L129-Y139 PolarHBondContact O-OH 3.01Å
130	C	93.3	Very high	88	Confident	9 Å²	9	65.6 Å²	65.6	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.9	-177.9	68.2	0	0	0	0	112.5	Y112 A113 I115 I134	Y112-C130 WeakPolarHBondContact CA-O 3.39Å; A113-C130 PolarHBondContact N-O 2.99Å; A113-C130 PolarHBondContact O-N 3.09Å; A113-C130 VanDerWaalsContact O-N 3.08Å; I115-C130 VanDerWaalsContact CD1-SG 3.57Å; C130-I134 HydrophobicContact CB-CG1 4.3Å
131	N	90.9	Very high	87.8	Confident	38 Å²	38	63 Å²	63	20%	0.203	36%	0.357	C	S	.	.	S	Bend	trans	-119.2	50.2	175.8	64.9	-23.6	0	0	0	112.5	S110 Y112	S110-N131 VanDerWaalsContact O-CB 3.28Å; S110-N131 WeakPolarHBondContact O-CB 3.5Å; Y112-N131 HydrophobicContact CD1-CB 3.85Å; Y112-N131 HydrophobicContact CD2-CB 3.78Å; Y112-N131 HydrophobicContact CE1-CB 3.84Å; Y112-N131 WeakPolarHBondContact CE1-OD1 3.29Å; Y112-N131 HydrophobicContact CE2-CB 3.76Å; Y112-N131 VanDerWaalsContact CE2-ND2 3.27Å; Y112-N131 WeakPolarHBondContact CE2-ND2 3.48Å; Y112-N131 HydrophobicContact CG-CB 3.83Å; Y112-N131 VanDerWaalsContact CZ-ND2 3.28Å; Y112-N131 PolarHBondContact OH-ND2 3.26Å; Y112-N131 PolarHBondContact OH-OD1 2.85Å
132	G	88.3	Confident	87.3	Confident	55 Å²	55	63.1 Å²	63.1	57%	0.567	35%	0.35	S	S	*	.	S	Bend	trans	127.7	-133.5	-176.5	0	0	0	0	0	111.4
133	T	87.9	Confident	86.7	Confident	132 Å²	132	63.8 Å²	63.8	81%	0.81	35%	0.353	S	S	*	.	S	Bend	trans	-68.4	140.7	177.4	48	0	0	0	0	111.6	D135	T133-D135 PolarHBondContact O-N 3.09Å
134	I	89	Confident	85.9	Confident	49 Å²	49	69.8 Å²	69.8	25%	0.251	38%	0.375	S	S	.	.			trans	-78.3	113	177.7	-60.4	170.5	0	0	0	108.8	I115 P118 I128 C130 E136 Y139	I115-I134 HydrophobicContact CD1-CD1 4.28Å; P118-I134 HydrophobicContact CG-CD1 3.48Å; P118-I134 VanDerWaalsContact CG-CD1 3.48Å; I128-I134 HydrophobicContact CD1-CD1 3.98Å; I128-I134 HydrophobicContact CD1-CG1 4.13Å; I128-I134 HydrophobicContact CD1-CG2 3.7Å; I128-I134 HydrophobicContact CG2-CD1 3.96Å; C130-I134 HydrophobicContact CB-CG1 4.3Å; I134-E136 HydrophobicContact CG2-CG 4.47Å; I134-Y139 HydrophobicContact CG2-CE2 3.92Å
135	D	89	Confident	84.6	Confident	77 Å²	77	76 Å²	76	41%	0.412	39%	0.387	S	S	.	.			trans	-97.5	104	164.7	174.2	12	0	0	0	109	T133 A137 K138 Y139	T133-D135 PolarHBondContact O-N 3.09Å; D135-A137 PolarHBondContact O-N 2.83Å; D135-A137 VanDerWaalsContact O-N 3.09Å; D135-A137 VanDerWaalsContact OD1-CB 3.26Å; D135-A137 WeakPolarHBondContact OD1-CB 3.45Å; D135-A137 PolarHBondContact OD1-N 2.95Å; D135-K138 HydrophobicContact CB-CD 4.15Å; D135-K138 HydrophobicContact CB-CG 4.13Å; D135-K138 WeakPolarHBondContact O-CB 3.48Å; D135-K138 PolarHBondContact O-N 2.95Å; D135-Y139 VanDerWaalsContact O-CD2 3.24Å; D135-Y139 WeakPolarHBondContact O-CD2 3.47Å; D135-Y139 WeakPolarHBondContact O-CE2 3.47Å
136	E	89.1	Confident	82.7	Confident	63 Å²	63	80.7 Å²	80.7	29%	0.294	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-56.3	-25.2	-179.6	-73	-64.2	156.6	0	0	113.2	R41 N119 I134 K138 Y139 K140	R41-E136 IonicContact CZ-OE1 3.68Å; R41-E136 IonicContact CZ-OE2 2.75Å; R41-E136 IonicContact NH1-OE1 2.72Å; R41-E136 PolarHBondContact NH1-OE1 3.01Å; R41-E136 IonicContact NH1-OE2 3.22Å; R41-E136 PolarHBondContact NH1-OE2 3.47Å; R41-E136 IonicContact NH2-OE1 2.81Å; R41-E136 PolarHBondContact NH2-OE1 3.33Å; R41-E136 IonicContact NH2-OE2 3.83Å; N119-E136 PolarHBondContact ND2-OE1 2.72Å; I134-E136 HydrophobicContact CG2-CG 4.47Å; E136-K138 PolarHBondContact O-N 3.37Å; E136-Y139 PolarHBondContact O-N 3.24Å; E136-Y139 VanDerWaalsContact O-N 3.15Å; E136-K140 PolarHBondContact O-N 3.43Å
137	A	88.9	Confident	80.7	Confident	65 Å²	65	87.1 Å²	87.1	54%	0.537	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-62.8	-29.8	176.6	0	0	0	0	0	112.4	D135 Y139 K140	D135-A137 PolarHBondContact O-N 2.83Å; D135-A137 VanDerWaalsContact O-N 3.09Å; D135-A137 VanDerWaalsContact OD1-CB 3.26Å; D135-A137 WeakPolarHBondContact OD1-CB 3.45Å; D135-A137 PolarHBondContact OD1-N 2.95Å; A137-Y139 PolarHBondContact O-N 3.14Å; A137-K140 PolarHBondContact O-N 3.5Å
138	K	89.5	Confident	78.5	Confident	84 Å²	84	90.3 Å²	90.3	37%	0.365	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-68.2	-20.2	178.3	-64.7	-178.4	-179.1	176.5	0	113.4	P43 T44 D135 E136	P43-K138 CarbonylContact C-O 3.59Å; P43-K138 WeakPolarHBondContact CA-O 3.28Å; P43-K138 HydrophobicContact CB-CB 4.33Å; T44-K138 PolarHBondContact N-O 3.32Å; T44-K138 PolarHBondContact OG1-O 2.89Å; D135-K138 HydrophobicContact CB-CD 4.15Å; D135-K138 HydrophobicContact CB-CG 4.13Å; D135-K138 WeakPolarHBondContact O-CB 3.48Å; D135-K138 PolarHBondContact O-N 2.95Å; E136-K138 PolarHBondContact O-N 3.37Å
139	Y	89.9	Confident	76.5	Confident	11 Å²	11	101.2 Å²	101.2	4%	0.043	53%	0.525	C	S	.	.	G	3₁₀ helix	trans	-105	-2.5	-176.2	-54	-92	0	0	0	112.4	R41 I42 P43 P78 I128 L129 I134 D135 E136 A137	R41-Y139 HydrophobicContact CB-CD1 4.48Å; R41-Y139 HydrophobicContact CG-CD1 4.29Å; I42-Y139 VanDerWaalsContact C-CD1 3.47Å; I42-Y139 WeakPolarHBondContact O-CD1 3.49Å; P43-Y139 HydrophobicContact CG-CE1 3.94Å; P78-Y139 WeakPolarHBondContact CD-O 3.28Å; P78-Y139 WeakPolarHBondContact CG-O 3.22Å; I128-Y139 HydrophobicContact CD1-CD1 4.17Å; I128-Y139 HydrophobicContact CD1-CD2 4.3Å; I128-Y139 HydrophobicContact CD1-CE1 3.62Å; I128-Y139 HydrophobicContact CD1-CE2 3.78Å; I128-Y139 HydrophobicContact CD1-CG 4.48Å; I128-Y139 HydrophobicContact CG1-CD1 4.31Å; I128-Y139 HydrophobicContact CG1-CE1 3.53Å; L129-Y139 PolarHBondContact O-OH 3.01Å; I134-Y139 HydrophobicContact CG2-CE2 3.92Å; D135-Y139 VanDerWaalsContact O-CD2 3.24Å; D135-Y139 WeakPolarHBondContact O-CD2 3.47Å; D135-Y139 WeakPolarHBondContact O-CE2 3.47Å; E136-Y139 PolarHBondContact O-N 3.24Å; E136-Y139 VanDerWaalsContact O-N 3.15Å; A137-Y139 PolarHBondContact O-N 3.14Å
140	K	86.4	Confident	75.6	Confident	140 Å²	140	106.3 Å²	106.3	61%	0.609	55%	0.552	S	S	*	*	S	Bend	trans	-76.1	144.4	175.3	-72.8	-175.6	-179.7	-177.7	0	110.6	T44 E136 A137	T44-K140 PolarHBondContact OG1-O 3.12Å; E136-K140 PolarHBondContact O-N 3.43Å; A137-K140 PolarHBondContact O-N 3.5Å
141	P	78.9	Confident	74.6	Confident	44 Å²	44	111.4 Å²	111.4	29%	0.286	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-60.8	145.2	169.9	-13	26.3	0	0	0	109.4	F75 E143	F75-P141 WeakPolarHBondContact O-CB 3.44Å; P141-E143 PolarHBondContact O-N 3Å
142	K	70.4	Confident	73.7	Confident	167 Å²	167	115.5 Å²	115.5	73%	0.726	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-64.6	119.6	166.2	-69.3	-178.7	179.8	172.8	0	107.4	K144	K142-K144 PolarHBondContact O-N 3.12Å
143	E	66.2	Low	72.9	Confident	184 Å²	184	119.1 Å²	119.1	86%	0.86	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-52.2	139	175.2	-69	-177.2	171.2	0	0	109.6	P141 K145	P141-E143 PolarHBondContact O-N 3Å; E143-K145 PolarHBondContact O-N 3.08Å
144	K	59.4	Low	71.9	Confident	159 Å²	159	118.3 Å²	118.3	69%	0.691	59%	0.587	S	S	*	*			trans	-58.2	112.1	166.5	-76.1	-176.9	179.2	178	0	106.4	K142 C146	K142-K144 PolarHBondContact O-N 3.12Å; K144-C146 PolarHBondContact O-N 2.88Å
145	K	53.4	Low	70.8	Confident	185 Å²	185	122.9 Å²	122.9	80%	0.804	61%	0.609	S	S	*	*			trans	-61.5	98	156.5	-73.5	-172.6	177.9	-178.1	0	105.5	E143 F147	E143-K145 PolarHBondContact O-N 3.08Å; K145-F147 VanDerWaalsContact C-N 3.3Å; K145-F147 PolarHBondContact O-N 3.11Å
146	C	49.2	Very low	69.5	Low	99 Å²	99	126.1 Å²	126.1	67%	0.669	62%	0.623	S	S	*	*			trans	-59.2	104.2	162.2	-67.4	0	0	0	0	105.3	K144 N148	K144-C146 PolarHBondContact O-N 2.88Å; C146-N148 PolarHBondContact O-N 3.49Å
147	F	50.5	Low	68	Low	186 Å²	186	131 Å²	131	82%	0.816	65%	0.649	S	S	*	*			trans	-65.1	94.6	159.4	-80.8	-88.4	0	0	0	105.3	K145 N149	K145-F147 VanDerWaalsContact C-N 3.3Å; K145-F147 PolarHBondContact O-N 3.11Å; F147-N149 PolarHBondContact O-N 3.45Å
148	N	47.9	Very low	66.3	Low	150 Å²	150	136.5 Å²	136.5	80%	0.802	66%	0.658	S	S	*	*			trans	-68.7	108	160.1	-73.5	-14.5	0	0	0	105.3	C146	C146-N148 PolarHBondContact O-N 3.49Å
149	N	53.4	Low	64.2	Low	229 Å²	229	141.3 Å²	141.3	100%	1.225	69%	0.685	S	S	*	*			trans	-63.1	0	163.6	-80.4	-18.4	0	0	0	110.2	F147	F147-N149 PolarHBondContact O-N 3.45Å

Retrieved 149 of 149 residues in 225 ms (Link to these results)

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