A0A044V4I7_ONCVO Loading...

Phosphatidylserine decarboxylase proenzyme, mitochondrial AlphaSync

Catalyzes the formation of phosphatidylethanolamine (PtdEtn) from phosphatidylserine (PtdSer). Plays a central role in phospholipid metabolism and in the interorganelle trafficking of phosphatidylserine. May be involved in lipid droplet biogenesis at the endoplasmic reticulum membrane.

AlphaFold DB , UniProt , Accession A0A044V4I7, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 371 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.8	Very low	53.9	Low	203 Å²	203	141.6 Å²	141.6	100%	1	66%	0.664	S	S	*	*				0	-35.8	0	-119.8	164.7	92.6	0	0	115.1
2	M	41.6	Very low	55.1	Low	176 Å²	176	135.3 Å²	135.3	87%	0.867	64%	0.642	S	S	*	*	H	α-helix	trans	-66.6	-36.3	178.9	-83.4	-168.4	174.9	0	0	114.7	R5 R6	M2-R5 PolarHBondContact O-N 3.1Å; M2-R6 PolarHBondContact O-N 2.63Å; M2-R6 VanDerWaalsContact O-N 3.15Å
3	L	50.1	Low	55.4	Low	150 Å²	150	139.1 Å²	139.1	79%	0.785	65%	0.646	S	S	*	*	H	α-helix	trans	-65.1	-41	-179.8	-76.4	158.5	0	0	0	112.8	R5 R6 W7	L3-R5 VanDerWaalsContact C-N 3.34Å; L3-R5 PolarHBondContact O-N 2.79Å; L3-R6 PolarHBondContact O-N 2.81Å; L3-W7 PolarHBondContact O-N 3.28Å; L3-W7 VanDerWaalsContact O-N 3.08Å
4	A	55.2	Low	55.4	Low	70 Å²	70	141.7 Å²	141.7	58%	0.579	65%	0.647	S	S	*	*	H	α-helix	trans	-63.8	-37.1	177.4	0	0	0	0	0	112.6	F8	A4-F8 PolarHBondContact O-N 2.83Å
5	R	44.3	Very low	56	Low	187 Å²	187	140.2 Å²	140.2	71%	0.706	64%	0.639	S	S	*	*	H	α-helix	trans	-69.4	-37.6	175.4	-83.2	-174.3	166.5	-162.8	-2.9	112.7	M2 L3 W7 F8 I9	M2-R5 PolarHBondContact O-N 3.1Å; L3-R5 VanDerWaalsContact C-N 3.34Å; L3-R5 PolarHBondContact O-N 2.79Å; R5-W7 VanDerWaalsContact C-N 3.34Å; R5-F8 PolarHBondContact O-N 3.08Å; R5-I9 WeakPolarHBondContact O-CG1 3.14Å; R5-I9 PolarHBondContact O-N 2.92Å
6	R	49.8	Very low	55.8	Low	191 Å²	191	137.9 Å²	137.9	72%	0.721	63%	0.633	S	S	*	*	H	α-helix	trans	-67.4	-38.1	178.3	-147.5	176.2	-175.7	-173.6	0.4	111.1	M2 L3 I10	M2-R6 PolarHBondContact O-N 2.63Å; M2-R6 VanDerWaalsContact O-N 3.15Å; L3-R6 PolarHBondContact O-N 2.81Å; R6-I10 HydrophobicContact CG-CD1 4.45Å; R6-I10 WeakPolarHBondContact O-CD1 3.22Å; R6-I10 VanDerWaalsContact O-CG1 3.29Å; R6-I10 WeakPolarHBondContact O-CG1 3.05Å; R6-I10 PolarHBondContact O-N 3.46Å
7	W	56.6	Low	55.8	Low	180 Å²	180	137.6 Å²	137.6	68%	0.682	63%	0.632	S	S	*	*	H	α-helix	trans	-64.5	-43.2	175.7	-169	79.1	0	0	0	112.8	L3 R5 I9 I10 N11	L3-W7 PolarHBondContact O-N 3.28Å; L3-W7 VanDerWaalsContact O-N 3.08Å; R5-W7 VanDerWaalsContact C-N 3.34Å; W7-I9 PolarHBondContact O-N 2.91Å; W7-I10 PolarHBondContact O-N 2.91Å; W7-N11 VanDerWaalsContact CE2-ND2 3.28Å; W7-N11 VanDerWaalsContact CZ2-ND2 3.29Å; W7-N11 WeakPolarHBondContact CZ2-ND2 3.34Å; W7-N11 PolarHBondContact O-N 2.78Å
8	F	62.5	Low	55.4	Low	141 Å²	141	137 Å²	137	62%	0.618	63%	0.63	S	S	*	*	H	α-helix	trans	-63.3	-42.3	178.3	-169.6	-99.4	0	0	0	112.8	A4 R5 N11 V12	A4-F8 PolarHBondContact O-N 2.83Å; R5-F8 PolarHBondContact O-N 3.08Å; F8-N11 PolarHBondContact O-N 2.67Å; F8-V12 HydrophobicContact CD1-CG2 4.35Å; F8-V12 HydrophobicContact CE1-CG2 4.03Å; F8-V12 HydrophobicContact CZ-CG2 4.24Å; F8-V12 WeakPolarHBondContact O-CG2 3.48Å; F8-V12 PolarHBondContact O-N 3.39Å; F8-V12 VanDerWaalsContact O-N 3.17Å
9	I	60	Low	55	Low	108 Å²	108	136.7 Å²	136.7	55%	0.554	63%	0.627	S	S	*	*	H	α-helix	trans	-67.8	-38.4	-179.4	-65.8	168.9	0	0	0	111.7	R5 W7 R13	R5-I9 WeakPolarHBondContact O-CG1 3.14Å; R5-I9 PolarHBondContact O-N 2.92Å; W7-I9 PolarHBondContact O-N 2.91Å; I9-R13 PolarHBondContact O-N 3.23Å; I9-R13 VanDerWaalsContact O-N 3.13Å
10	I	65.5	Low	54.3	Low	88 Å²	88	139.6 Å²	139.6	45%	0.451	63%	0.632	S	S	.	*	H	α-helix	trans	-66.4	-41.4	179.1	-68.1	167.2	0	0	0	110.8	R6 W7 R13 R14	R6-I10 HydrophobicContact CG-CD1 4.45Å; R6-I10 WeakPolarHBondContact O-CD1 3.22Å; R6-I10 VanDerWaalsContact O-CG1 3.29Å; R6-I10 WeakPolarHBondContact O-CG1 3.05Å; R6-I10 PolarHBondContact O-N 3.46Å; W7-I10 PolarHBondContact O-N 2.91Å; I10-R13 PolarHBondContact O-N 3.3Å; I10-R14 PolarHBondContact O-N 2.88Å
11	N	60.7	Low	54	Low	64 Å²	64	136.6 Å²	136.6	34%	0.342	63%	0.625	S	S	.	*	H	α-helix	trans	-69	-38.2	179.9	-83	-25	0	0	0	113	W7 F8 R14 F15	W7-N11 VanDerWaalsContact CE2-ND2 3.28Å; W7-N11 VanDerWaalsContact CZ2-ND2 3.29Å; W7-N11 WeakPolarHBondContact CZ2-ND2 3.34Å; W7-N11 PolarHBondContact O-N 2.78Å; F8-N11 PolarHBondContact O-N 2.67Å; N11-R14 PolarHBondContact O-N 3.04Å; N11-F15 WeakPolarHBondContact O-CB 3.33Å; N11-F15 PolarHBondContact O-N 3.25Å
12	V	68	Low	53.7	Low	65 Å²	65	132.1 Å²	132.1	39%	0.394	61%	0.605	S	S	.	*	H	α-helix	trans	-65.8	-39.6	175	174.6	0	0	0	0	111	F8 F15 L16	F8-V12 HydrophobicContact CD1-CG2 4.35Å; F8-V12 HydrophobicContact CE1-CG2 4.03Å; F8-V12 HydrophobicContact CZ-CG2 4.24Å; F8-V12 WeakPolarHBondContact O-CG2 3.48Å; F8-V12 PolarHBondContact O-N 3.39Å; F8-V12 VanDerWaalsContact O-N 3.17Å; V12-F15 PolarHBondContact O-N 2.82Å; V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 HydrophobicContact CG1-CG 4.44Å; V12-L16 WeakPolarHBondContact O-CB 3.48Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.28Å; V12-L16 PolarHBondContact O-N 2.79Å
13	R	58.5	Low	53.5	Low	185 Å²	185	132 Å²	132	70%	0.698	60%	0.6	S	S	*	*	H	α-helix	trans	-64	-44.5	175.3	-106.7	-175.7	173.3	-175.4	-3.2	112.6	I9 I10 L16 Q17	I9-R13 PolarHBondContact O-N 3.23Å; I9-R13 VanDerWaalsContact O-N 3.13Å; I10-R13 PolarHBondContact O-N 3.3Å; R13-L16 PolarHBondContact O-N 3.13Å; R13-Q17 PolarHBondContact O-N 3Å
14	R	56.5	Low	52.8	Low	176 Å²	176	131.7 Å²	131.7	66%	0.664	59%	0.594	S	S	*	*	H	α-helix	trans	-61.7	-43.2	175.3	-90.2	-174.1	172.5	176.9	-2.9	112	I10 N11 L16 Q17 Q18	I10-R14 PolarHBondContact O-N 2.88Å; N11-R14 PolarHBondContact O-N 3.04Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-L16 PolarHBondContact O-N 3.27Å; R14-Q17 PolarHBondContact O-N 3.32Å; R14-Q18 WeakPolarHBondContact O-CB 3.5Å; R14-Q18 PolarHBondContact O-N 2.74Å
15	F	64.3	Low	51.8	Low	119 Å²	119	135.2 Å²	135.2	52%	0.522	60%	0.603	S	S	.	*	H	α-helix	trans	-63.3	-39.6	178	-174.3	-99.1	0	0	0	112.4	N11 V12 K19	N11-F15 WeakPolarHBondContact O-CB 3.33Å; N11-F15 PolarHBondContact O-N 3.25Å; V12-F15 PolarHBondContact O-N 2.82Å; F15-K19 HydrophobicContact CE1-CD 4.14Å; F15-K19 HydrophobicContact CZ-CD 4.38Å; F15-K19 PolarHBondContact O-N 3.49Å
16	L	52.8	Low	51.3	Low	103 Å²	103	131.7 Å²	131.7	54%	0.539	61%	0.606	S	S	.	*	H	α-helix	trans	-70.9	-40.4	176.9	-71.4	169.8	0	0	0	112.4	V12 R13 R14 K19 W20	V12-L16 HydrophobicContact CG1-CD1 3.88Å; V12-L16 HydrophobicContact CG1-CG 4.44Å; V12-L16 WeakPolarHBondContact O-CB 3.48Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.28Å; V12-L16 PolarHBondContact O-N 2.79Å; R13-L16 PolarHBondContact O-N 3.13Å; R14-L16 VanDerWaalsContact C-N 3.34Å; R14-L16 PolarHBondContact O-N 3.27Å; L16-K19 PolarHBondContact O-N 2.74Å; L16-W20 PolarHBondContact O-N 2.83Å
17	Q	54.8	Low	50.4	Low	133 Å²	133	126.3 Å²	126.3	62%	0.621	60%	0.603	S	S	*	*	H	α-helix	trans	-65.2	-37.9	174.9	-86.2	-178.9	-56.4	0	0	112.6	R13 R14 K19 W20 T21	R13-Q17 PolarHBondContact O-N 3Å; R14-Q17 PolarHBondContact O-N 3.32Å; Q17-K19 VanDerWaalsContact C-N 3.28Å; Q17-K19 PolarHBondContact O-N 2.89Å; Q17-W20 PolarHBondContact O-N 3.02Å; Q17-T21 WeakPolarHBondContact O-CG2 3.27Å; Q17-T21 PolarHBondContact O-N 3.03Å; Q17-T21 PolarHBondContact O-OG1 3.04Å
18	Q	50	Low	49.1	Very low	127 Å²	127	124.8 Å²	124.8	59%	0.593	61%	0.608	S	S	*	*	H	α-helix	trans	-67.4	-31	177.1	-161.7	174.7	15.6	0	0	112	R14 T21 N22	R14-Q18 WeakPolarHBondContact O-CB 3.5Å; R14-Q18 PolarHBondContact O-N 2.74Å; Q18-T21 WeakPolarHBondContact CA-OG1 3.35Å; Q18-T21 PolarHBondContact O-OG1 3.16Å; Q18-N22 VanDerWaalsContact O-CG 3.23Å; Q18-N22 PolarHBondContact O-N 3.33Å; Q18-N22 PolarHBondContact O-ND2 2.75Å
19	K	47.8	Very low	47.6	Very low	131 Å²	131	128.7 Å²	128.7	57%	0.57	62%	0.62	S	S	*	*	H	α-helix	trans	-77.9	-30	172.5	-84.9	-164.8	172.2	-168.1	0	113.9	F15 L16 Q17	F15-K19 HydrophobicContact CE1-CD 4.14Å; F15-K19 HydrophobicContact CZ-CD 4.38Å; F15-K19 PolarHBondContact O-N 3.49Å; L16-K19 PolarHBondContact O-N 2.74Å; Q17-K19 VanDerWaalsContact C-N 3.28Å; Q17-K19 PolarHBondContact O-N 2.89Å
20	W	40.6	Very low	46.1	Very low	195 Å²	195	127.2 Å²	127.2	74%	0.739	62%	0.624	S	S	*	*	H	α-helix	trans	-74.9	-40.1	178	-119.3	54.6	0	0	0	112.1	L16 Q17 N22 F23 E24	L16-W20 PolarHBondContact O-N 2.83Å; Q17-W20 PolarHBondContact O-N 3.02Å; W20-N22 VanDerWaalsContact C-N 3.34Å; W20-N22 PolarHBondContact O-N 3.47Å; W20-F23 WeakPolarHBondContact O-CB 3.19Å; W20-F23 PolarHBondContact O-N 3.13Å; W20-E24 PolarHBondContact O-N 3.03Å
21	T	47	Very low	44.3	Very low	77 Å²	77	128.9 Å²	128.9	47%	0.472	64%	0.638	S	S	.	*	H	α-helix	trans	-62.8	-39.5	173.5	43.5	0	0	0	0	112	Q17 Q18 F23 E24	Q17-T21 WeakPolarHBondContact O-CG2 3.27Å; Q17-T21 PolarHBondContact O-N 3.03Å; Q17-T21 PolarHBondContact O-OG1 3.04Å; Q18-T21 WeakPolarHBondContact CA-OG1 3.35Å; Q18-T21 PolarHBondContact O-OG1 3.16Å; T21-F23 PolarHBondContact O-N 3.38Å; T21-F23 VanDerWaalsContact O-N 3.11Å; T21-E24 PolarHBondContact O-N 2.78Å
22	N	42.1	Very low	42.8	Very low	108 Å²	108	132.3 Å²	132.3	58%	0.578	66%	0.662	S	S	*	*	H	α-helix	trans	-67	-9.4	173.1	-72.3	-3.1	0	0	0	114.4	Q18 W20	Q18-N22 VanDerWaalsContact O-CG 3.23Å; Q18-N22 PolarHBondContact O-N 3.33Å; Q18-N22 PolarHBondContact O-ND2 2.75Å; W20-N22 VanDerWaalsContact C-N 3.34Å; W20-N22 PolarHBondContact O-N 3.47Å
23	F	37.4	Very low	41	Very low	175 Å²	175	134.4 Å²	134.4	77%	0.768	68%	0.679	S	S	*	*	H	α-helix	trans	-95.6	-19.6	177.9	-145.2	-94	0	0	0	112.5	W20 T21	W20-F23 WeakPolarHBondContact O-CB 3.19Å; W20-F23 PolarHBondContact O-N 3.13Å; T21-F23 PolarHBondContact O-N 3.38Å; T21-F23 VanDerWaalsContact O-N 3.11Å
24	E	34.7	Very low	39.5	Very low	142 Å²	142	132.2 Å²	132.2	66%	0.664	69%	0.686	S	S	*	*	H	α-helix	trans	-86.8	-18.9	175.9	-73.4	-177.4	155.7	0	0	113.1	W20 T21 C26	W20-E24 PolarHBondContact O-N 3.03Å; T21-E24 PolarHBondContact O-N 2.78Å; E24-C26 PolarHBondContact O-N 3.42Å
25	D	33.6	Very low	38.4	Very low	144 Å²	144	131.3 Å²	131.3	77%	0.77	70%	0.695	S	S	*	*	S	Bend	trans	-81.6	12.5	173.8	-75.2	-20	0	0	0	114
26	C	34.4	Very low	36.7	Very low	113 Å²	113	132.6 Å²	132.6	76%	0.764	71%	0.707	S	S	*	*			trans	-112.7	51	173.8	-80.2	0	0	0	0	111.2	E24	E24-C26 PolarHBondContact O-N 3.42Å
27	A	30.9	Very low	35.5	Very low	79 Å²	79	132.7 Å²	132.7	65%	0.653	72%	0.716	S	S	*	*	S	Bend	trans	-146.3	54.7	170.4	0	0	0	0	0	110.4
28	D	29	Very low	34.5	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	73%	0.727	S	S	*	*			trans	-164.8	155.9	157.1	-100.3	-30.5	0	0	0	112.2
29	Y	31.5	Very low	33.5	Very low	223 Å²	223	140.1 Å²	140.1	88%	0.875	74%	0.744	S	S	*	*			trans	102.5	85.8	175.2	-60.4	-74.8	0	0	0	117.9
30	A	28.8	Very low	32.7	Very low	77 Å²	77	139.1 Å²	139.1	64%	0.636	75%	0.754	S	S	*	*			trans	-54.6	154.8	147.8	0	0	0	0	0	114.1
31	T	26.2	Very low	32.4	Very low	123 Å²	123	134.4 Å²	134.4	76%	0.755	75%	0.751	S	S	*	*			trans	57.3	113.3	147.6	53.6	0	0	0	0	119.4
32	T	29.2	Very low	32.3	Very low	136 Å²	136	135.9 Å²	135.9	83%	0.834	76%	0.762	S	S	*	*				172	148	105.1	33.5	0	0	0	0	114.7
33	S	31	Very low	32.2	Very low	109 Å²	109	140 Å²	140	76%	0.762	77%	0.774	S	S	*	*			trans	52.3	107.9	158.6	60.9	0	0	0	0	121.4	N35	S33-N35 PolarHBondContact O-N 2.97Å
34	V	27.9	Very low	32.6	Very low	138 Å²	138	141 Å²	141	84%	0.836	78%	0.779	S	S	*	*			trans	-43.2	118	142.9	177.9	0	0	0	0	110.5
35	N	31.7	Very low	33.3	Very low	158 Å²	158	139.4 Å²	139.4	85%	0.845	77%	0.774	S	S	*	*			trans	-153.7	142.6	146.1	-116.3	-11.1	0	0	0	111.6	S33	S33-N35 PolarHBondContact O-N 2.97Å
36	D	28.6	Very low	34.4	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	77%	0.77	S	S	*	*			trans	-60.8	157.3	-166.2	-90.1	-51.4	0	0	0	116.5
37	S	28.9	Very low	35.6	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	76%	0.761	S	S	*	*			trans	100.2	125.6	144.7	81.5	0	0	0	0	119.3
38	K	32.4	Very low	37.6	Very low	196 Å²	196	142.1 Å²	142.1	85%	0.852	76%	0.764	S	S	*	*			trans	80.8	81.6	162	-62.8	-177.4	-178.2	175.3	0	117.7	S40	K38-S40 PolarHBondContact O-N 3.09Å
39	K	29.8	Very low	39.5	Very low	219 Å²	219	144.1 Å²	144.1	95%	0.952	76%	0.761	S	S	*	*			trans	-28.1	104	142.7	-70.9	174.2	176.8	174.5	0	111.9
40	S	31	Very low	41.6	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	75%	0.749	S	S	*	*			trans	-112.7	100.8	147.2	62.2	0	0	0	0	106.8	K38 P42	K38-S40 PolarHBondContact O-N 3.09Å; S40-P42 WeakPolarHBondContact O-CD 3.17Å
41	S	35.5	Very low	44.1	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	74%	0.739	S	S	*	*			trans	-65.1	122.5	172.8	53.4	0	0	0	0	108.2	K43	S41-K43 PolarHBondContact O-N 2.93Å; S41-K43 VanDerWaalsContact O-N 3.11Å
42	P	44	Very low	46.6	Very low	107 Å²	107	136.7 Å²	136.7	70%	0.695	72%	0.722	S	S	*	*			trans	-70.4	113.2	-176.5	27.2	-31	0	0	0	108.7	S40 F44	S40-P42 WeakPolarHBondContact O-CD 3.17Å; P42-F44 HydrophobicContact CB-CD2 4.2Å; P42-F44 PolarHBondContact O-N 3.46Å
43	K	40	Very low	49.1	Very low	194 Å²	194	137.4 Å²	137.4	84%	0.843	71%	0.713	S	S	*	*			trans	-72	68.2	169.5	-67.3	-178.1	-178.4	176.3	0	108.8	S41 I45	S41-K43 PolarHBondContact O-N 2.93Å; S41-K43 VanDerWaalsContact O-N 3.11Å; K43-I45 VanDerWaalsContact O-CG1 3.31Å; K43-I45 WeakPolarHBondContact O-CG1 3.48Å; K43-I45 PolarHBondContact O-N 3.34Å
44	F	44.9	Very low	51.6	Low	197 Å²	197	141 Å²	141	86%	0.864	71%	0.711	S	S	*	*			trans	-76	73.6	168.9	-104.9	-87.9	0	0	0	110.2	P42	P42-F44 HydrophobicContact CB-CD2 4.2Å; P42-F44 PolarHBondContact O-N 3.46Å
45	I	50.3	Low	54.3	Low	109 Å²	109	138.9 Å²	138.9	56%	0.559	70%	0.697	S	S	*	*			trans	29.1	112.6	146.2	-39.3	-177.1	0	0	0	118.3	K43 H47	K43-I45 VanDerWaalsContact O-CG1 3.31Å; K43-I45 WeakPolarHBondContact O-CG1 3.48Å; K43-I45 PolarHBondContact O-N 3.34Å; I45-H47 HydrophobicContact CG2-CB 3.62Å; I45-H47 PolarHBondContact O-N 3.39Å
46	P	56.1	Low	56.7	Low	105 Å²	105	135.1 Å²	135.1	68%	0.682	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	0.9	173.9	24.3	-33.6	0	0	0	115.7	K50	P46-K50 PolarHBondContact O-N 3.01Å
47	H	60.8	Low	59.3	Low	126 Å²	126	133.7 Å²	133.7	58%	0.583	67%	0.67	S	S	*	*	H	α-helix	trans	-70.5	-35.5	180	-163.9	73.5	0	0	0	112.4	I45 Y49 K50 V51	I45-H47 HydrophobicContact CG2-CB 3.62Å; I45-H47 PolarHBondContact O-N 3.39Å; H47-Y49 PolarHBondContact O-N 3.12Å; H47-K50 PolarHBondContact O-N 2.98Å; H47-V51 WeakPolarHBondContact O-CG2 3.29Å; H47-V51 PolarHBondContact O-N 2.85Å
48	F	71.1	Confident	61.9	Low	162 Å²	162	132.1 Å²	132.1	71%	0.711	66%	0.659	S	S	*	*	H	α-helix	trans	-63	-41.8	178.1	-177.5	-102.1	0	0	0	112.2	V51 S52	F48-V51 PolarHBondContact O-N 3.32Å; F48-S52 VanDerWaalsContact O-CB 3.25Å; F48-S52 WeakPolarHBondContact O-CB 3Å; F48-S52 PolarHBondContact O-N 2.94Å
49	Y	70.3	Confident	64.4	Low	189 Å²	189	130 Å²	130	74%	0.741	65%	0.65	S	S	*	*	H	α-helix	trans	-65	-38.6	174.2	-88.6	-85.9	0	0	0	112.4	H47 K53	H47-Y49 PolarHBondContact O-N 3.12Å; Y49-K53 VanDerWaalsContact O-CB 3.26Å; Y49-K53 WeakPolarHBondContact O-CB 3.19Å; Y49-K53 PolarHBondContact O-N 3.08Å
50	K	74.7	Confident	66.9	Low	140 Å²	140	123.9 Å²	123.9	61%	0.609	63%	0.631	S	S	*	*	H	α-helix	trans	-62.6	-49.7	174.8	-80.5	-174.6	177.9	-178.5	0	111.2	P46 H47 K53 W54	P46-K50 PolarHBondContact O-N 3.01Å; H47-K50 PolarHBondContact O-N 2.98Å; K50-K53 PolarHBondContact O-N 3.04Å; K50-W54 PolarHBondContact O-N 3.21Å; K50-W54 VanDerWaalsContact O-N 3.07Å
51	V	81.5	Confident	69.5	Low	71 Å²	71	121.3 Å²	121.3	43%	0.43	62%	0.617	S	S	.	*	H	α-helix	trans	-64.1	-46.2	-179.5	176.1	0	0	0	0	110.9	H47 F48 K53 W54 V55	H47-V51 WeakPolarHBondContact O-CG2 3.29Å; H47-V51 PolarHBondContact O-N 2.85Å; F48-V51 PolarHBondContact O-N 3.32Å; V51-K53 PolarHBondContact O-N 3.49Å; V51-W54 PolarHBondContact O-N 2.66Å; V51-V55 HydrophobicContact CG1-CG2 4.26Å; V51-V55 WeakPolarHBondContact O-CG2 3.23Å; V51-V55 PolarHBondContact O-N 3.42Å
52	S	78.8	Confident	71.6	Confident	57 Å²	57	118 Å²	118	40%	0.399	60%	0.598	S	S	.	*	H	α-helix	trans	-56.8	-47.4	176.6	-176.5	0	0	0	0	111.6	F48 W54 V55 T56	F48-S52 VanDerWaalsContact O-CB 3.25Å; F48-S52 WeakPolarHBondContact O-CB 3Å; F48-S52 PolarHBondContact O-N 2.94Å; S52-W54 PolarHBondContact O-N 2.8Å; S52-V55 PolarHBondContact O-N 2.92Å; S52-T56 PolarHBondContact O-N 3.28Å; S52-T56 PolarHBondContact O-OG1 3.22Å
53	K	81.3	Confident	73.2	Confident	150 Å²	150	115.4 Å²	115.4	65%	0.652	58%	0.582	S	S	*	*	H	α-helix	trans	-58	-45.8	176.8	-173.9	178.8	-179.7	179.7	0	112.3	Y49 K50 V51 T56 M57	Y49-K53 VanDerWaalsContact O-CB 3.26Å; Y49-K53 WeakPolarHBondContact O-CB 3.19Å; Y49-K53 PolarHBondContact O-N 3.08Å; K50-K53 PolarHBondContact O-N 3.04Å; V51-K53 PolarHBondContact O-N 3.49Å; K53-T56 PolarHBondContact O-N 3.09Å; K53-M57 HydrophobicContact CG-CG 4.48Å; K53-M57 WeakPolarHBondContact O-CB 3.48Å; K53-M57 VanDerWaalsContact O-CG 3.23Å; K53-M57 WeakPolarHBondContact O-CG 3.38Å; K53-M57 PolarHBondContact O-N 3.11Å
54	W	84.1	Confident	75	Confident	186 Å²	186	107.6 Å²	107.6	71%	0.705	56%	0.557	S	S	*	*	H	α-helix	trans	-66.8	-39.1	178.8	-78.8	111	0	0	0	112.6	K50 V51 S52 S58	K50-W54 PolarHBondContact O-N 3.21Å; K50-W54 VanDerWaalsContact O-N 3.07Å; V51-W54 PolarHBondContact O-N 2.66Å; S52-W54 PolarHBondContact O-N 2.8Å; W54-S58 VanDerWaalsContact O-CB 3.25Å; W54-S58 WeakPolarHBondContact O-CB 3.39Å; W54-S58 PolarHBondContact O-N 3.14Å; W54-S58 PolarHBondContact O-OG 3.17Å
55	V	84.9	Confident	76.6	Confident	92 Å²	92	102.3 Å²	102.3	56%	0.558	54%	0.541	S	S	*	.	H	α-helix	trans	-63.7	-46.3	174.9	172.2	0	0	0	0	110.9	V51 S52 S58 F59	V51-V55 HydrophobicContact CG1-CG2 4.26Å; V51-V55 WeakPolarHBondContact O-CG2 3.23Å; V51-V55 PolarHBondContact O-N 3.42Å; S52-V55 PolarHBondContact O-N 2.92Å; V55-S58 PolarHBondContact O-N 3.15Å; V55-F59 WeakPolarHBondContact O-CB 3.13Å; V55-F59 PolarHBondContact O-N 3.41Å
56	T	82.3	Confident	78	Confident	80 Å²	80	102 Å²	102	49%	0.491	54%	0.539	S	S	.	.	H	α-helix	trans	-63.7	-45.3	177.7	-44.9	0	0	0	0	111.4	S52 K53 S58 F59 V60	S52-T56 PolarHBondContact O-N 3.28Å; S52-T56 PolarHBondContact O-OG1 3.22Å; K53-T56 PolarHBondContact O-N 3.09Å; T56-S58 PolarHBondContact O-N 2.81Å; T56-F59 PolarHBondContact O-N 3.14Å; T56-V60 WeakPolarHBondContact O-CG2 2.85Å; T56-V60 PolarHBondContact O-N 3.17Å
57	M	82.3	Confident	78.9	Confident	114 Å²	114	101.9 Å²	101.9	56%	0.562	53%	0.526	S	S	*	.	H	α-helix	trans	-62.1	-41.7	177.2	-74.1	-61.4	-62.1	0	0	112.1	K53 V60 A61	K53-M57 HydrophobicContact CG-CG 4.48Å; K53-M57 WeakPolarHBondContact O-CB 3.48Å; K53-M57 VanDerWaalsContact O-CG 3.23Å; K53-M57 WeakPolarHBondContact O-CG 3.38Å; K53-M57 PolarHBondContact O-N 3.11Å; M57-V60 PolarHBondContact O-N 3.11Å; M57-A61 VanDerWaalsContact O-CB 3.27Å; M57-A61 WeakPolarHBondContact O-CB 3.33Å; M57-A61 PolarHBondContact O-N 3.09Å
58	S	83.2	Confident	79.6	Confident	73 Å²	73	100.1 Å²	100.1	51%	0.51	52%	0.52	S	S	.	.	H	α-helix	trans	-68.5	-36.2	178.5	-55.9	0	0	0	0	111.6	W54 V55 T56 G62	W54-S58 VanDerWaalsContact O-CB 3.25Å; W54-S58 WeakPolarHBondContact O-CB 3.39Å; W54-S58 PolarHBondContact O-N 3.14Å; W54-S58 PolarHBondContact O-OG 3.17Å; V55-S58 PolarHBondContact O-N 3.15Å; T56-S58 PolarHBondContact O-N 2.81Å; S58-G62 WeakPolarHBondContact O-CA 3.35Å; S58-G62 PolarHBondContact O-N 3.07Å
59	F	85	Confident	79.8	Confident	151 Å²	151	99.8 Å²	99.8	66%	0.662	52%	0.515	S	S	*	.	H	α-helix	trans	-67.4	-43.1	174.4	-176.7	-99.3	0	0	0	112	V55 T56 S63	V55-F59 WeakPolarHBondContact O-CB 3.13Å; V55-F59 PolarHBondContact O-N 3.41Å; T56-F59 PolarHBondContact O-N 3.14Å; F59-S63 WeakPolarHBondContact O-CB 3.24Å; F59-S63 PolarHBondContact O-N 3.41Å; F59-S63 PolarHBondContact O-OG 3.18Å
60	V	83.7	Confident	79.8	Confident	91 Å²	91	95.5 Å²	95.5	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-65.1	-45.5	175.7	172.4	0	0	0	0	110.7	T56 M57 G64	T56-V60 WeakPolarHBondContact O-CG2 2.85Å; T56-V60 PolarHBondContact O-N 3.17Å; M57-V60 PolarHBondContact O-N 3.11Å; V60-G64 PolarHBondContact O-N 3.27Å
61	A	85	Confident	79.5	Confident	57 Å²	57	90.1 Å²	90.1	47%	0.471	48%	0.483	S	S	.	.	H	α-helix	trans	-65.6	-44.1	177.3	0	0	0	0	0	112.2	M57 G64 T65	M57-A61 VanDerWaalsContact O-CB 3.27Å; M57-A61 WeakPolarHBondContact O-CB 3.33Å; M57-A61 PolarHBondContact O-N 3.09Å; A61-G64 PolarHBondContact O-N 3.13Å; A61-T65 WeakPolarHBondContact O-CB 3.44Å; A61-T65 VanDerWaalsContact O-CG2 3.3Å; A61-T65 WeakPolarHBondContact O-CG2 3.45Å; A61-T65 PolarHBondContact O-N 2.87Å; A61-T65 PolarHBondContact O-OG1 3.24Å
62	G	79.3	Confident	78.9	Confident	27 Å²	27	93.9 Å²	93.9	28%	0.278	49%	0.494	S	S	.	.	H	α-helix	trans	-63.7	-44	175.7	0	0	0	0	0	112.3	S58 T65 I66	S58-G62 WeakPolarHBondContact O-CA 3.35Å; S58-G62 PolarHBondContact O-N 3.07Å; G62-T65 WeakPolarHBondContact CA-OG1 3.48Å; G62-T65 PolarHBondContact O-OG1 3.36Å; G62-I66 WeakPolarHBondContact O-CB 3.39Å; G62-I66 WeakPolarHBondContact O-CD1 3.16Å; G62-I66 WeakPolarHBondContact O-CG1 3.25Å; G62-I66 PolarHBondContact O-N 2.75Å
63	S	77.5	Confident	78.2	Confident	53 Å²	53	94 Å²	94	37%	0.371	49%	0.489	S	S	.	.	H	α-helix	trans	-66.8	-40.4	176.3	-58.5	0	0	0	0	111.7	F59 Y67	F59-S63 WeakPolarHBondContact O-CB 3.24Å; F59-S63 PolarHBondContact O-N 3.41Å; F59-S63 PolarHBondContact O-OG 3.18Å; S63-Y67 VanDerWaalsContact O-CB 3.29Å; S63-Y67 WeakPolarHBondContact O-CB 3.31Å; S63-Y67 PolarHBondContact O-N 3.09Å
64	G	78.4	Confident	76.9	Confident	29 Å²	29	90 Å²	90	30%	0.299	48%	0.479	S	S	.	.	H	α-helix	trans	-65.9	-42.4	176.9	0	0	0	0	0	112.9	V60 A61 Y67 L68	V60-G64 PolarHBondContact O-N 3.27Å; A61-G64 PolarHBondContact O-N 3.13Å; G64-Y67 PolarHBondContact O-N 3Å; G64-L68 WeakPolarHBondContact O-CB 3.47Å; G64-L68 WeakPolarHBondContact O-CG 3.24Å; G64-L68 PolarHBondContact O-N 2.84Å
65	T	78.9	Confident	75.8	Confident	86 Å²	86	82.7 Å²	82.7	53%	0.528	45%	0.454	S	S	.	.	H	α-helix	trans	-68	-40.7	175.8	48.2	0	0	0	0	112.1	A61 G62 L68 Y69	A61-T65 WeakPolarHBondContact O-CB 3.44Å; A61-T65 VanDerWaalsContact O-CG2 3.3Å; A61-T65 WeakPolarHBondContact O-CG2 3.45Å; A61-T65 PolarHBondContact O-N 2.87Å; A61-T65 PolarHBondContact O-OG1 3.24Å; G62-T65 WeakPolarHBondContact CA-OG1 3.48Å; G62-T65 PolarHBondContact O-OG1 3.36Å; T65-L68 PolarHBondContact O-N 2.83Å; T65-Y69 WeakPolarHBondContact O-CB 2.97Å; T65-Y69 PolarHBondContact O-N 3.14Å
66	I	78.1	Confident	74.6	Confident	104 Å²	104	85.2 Å²	85.2	53%	0.533	45%	0.453	S	S	.	.	H	α-helix	trans	-63.4	-42.3	172.9	-69.4	165.9	0	0	0	110.6	G62 Y69 N70	G62-I66 WeakPolarHBondContact O-CB 3.39Å; G62-I66 WeakPolarHBondContact O-CD1 3.16Å; G62-I66 WeakPolarHBondContact O-CG1 3.25Å; G62-I66 PolarHBondContact O-N 2.75Å; I66-Y69 PolarHBondContact O-N 2.83Å; I66-N70 WeakPolarHBondContact CG2-ND2 3.09Å; I66-N70 WeakPolarHBondContact O-CB 3.46Å; I66-N70 PolarHBondContact O-N 3.1Å; I66-N70 PolarHBondContact O-ND2 2.83Å
67	Y	75.1	Confident	73.5	Confident	101 Å²	101	84.1 Å²	84.1	40%	0.396	44%	0.44	S	S	.	.	H	α-helix	trans	-61.5	-50.7	175.9	177.3	-102.4	0	0	0	111.3	S63 G64 Y69 N70 L71 S96	S63-Y67 VanDerWaalsContact O-CB 3.29Å; S63-Y67 WeakPolarHBondContact O-CB 3.31Å; S63-Y67 PolarHBondContact O-N 3.09Å; G64-Y67 PolarHBondContact O-N 3Å; Y67-Y69 VanDerWaalsContact C-N 3.34Å; Y67-Y69 PolarHBondContact O-N 2.79Å; Y67-N70 PolarHBondContact O-N 3.37Å; Y67-L71 HydrophobicContact CD1-CD1 4.03Å; Y67-L71 HydrophobicContact CD1-CG 4.48Å; Y67-L71 HydrophobicContact CE1-CD1 3.57Å; Y67-L71 HydrophobicContact CE1-CG 4.19Å; Y67-L71 WeakPolarHBondContact O-CG 3.26Å; Y67-L71 PolarHBondContact O-N 3.28Å; Y67-S96 PolarHBondContact OH-OG 2.81Å
68	L	75.8	Confident	72.2	Confident	90 Å²	90	80.9 Å²	80.9	47%	0.471	42%	0.424	S	S	.	.	H	α-helix	trans	-57.9	-44.1	174.9	-78.8	161.8	0	0	0	111.9	G64 T65 N70 L71 F72	G64-L68 WeakPolarHBondContact O-CB 3.47Å; G64-L68 WeakPolarHBondContact O-CG 3.24Å; G64-L68 PolarHBondContact O-N 2.84Å; T65-L68 PolarHBondContact O-N 2.83Å; L68-N70 PolarHBondContact O-N 2.95Å; L68-L71 HydrophobicContact CD2-CD1 4.44Å; L68-L71 VanDerWaalsContact O-CB 3.31Å; L68-L71 WeakPolarHBondContact O-CB 3.21Å; L68-L71 PolarHBondContact O-N 2.99Å; L68-F72 HydrophobicContact CD2-CE2 4.32Å; L68-F72 WeakPolarHBondContact O-CD2 3.39Å; L68-F72 PolarHBondContact O-N 2.76Å
69	Y	75.3	Confident	70.8	Confident	154 Å²	154	84.5 Å²	84.5	60%	0.604	44%	0.436	S	S	*	.	H	α-helix	trans	-60.4	-45.2	177	-178.8	-115.9	0	0	0	111.5	T65 I66 Y67 L71 F72 I73	T65-Y69 WeakPolarHBondContact O-CB 2.97Å; T65-Y69 PolarHBondContact O-N 3.14Å; I66-Y69 PolarHBondContact O-N 2.83Å; Y67-Y69 VanDerWaalsContact C-N 3.34Å; Y67-Y69 PolarHBondContact O-N 2.79Å; Y69-L71 PolarHBondContact O-N 2.93Å; Y69-F72 PolarHBondContact O-N 3.11Å; Y69-F72 VanDerWaalsContact O-N 3.11Å; Y69-I73 HydrophobicContact CD1-CD1 3.45Å; Y69-I73 VanDerWaalsContact CD1-CD1 3.45Å; Y69-I73 HydrophobicContact CD1-CG1 4.27Å; Y69-I73 HydrophobicContact CD2-CD1 4.25Å; Y69-I73 HydrophobicContact CD2-CG1 4.22Å; Y69-I73 HydrophobicContact CE1-CD1 3.02Å; Y69-I73 HydrophobicContact CE1-CG1 3.95Å; Y69-I73 HydrophobicContact CE2-CD1 3.89Å; Y69-I73 HydrophobicContact CE2-CG1 3.86Å; Y69-I73 HydrophobicContact CG-CD1 4.04Å; Y69-I73 HydrophobicContact CG-CG1 4.39Å; Y69-I73 WeakPolarHBondContact O-CG1 3.33Å; Y69-I73 PolarHBondContact O-N 3.49Å
70	N	70.2	Confident	69.3	Low	100 Å²	100	84.5 Å²	84.5	54%	0.535	44%	0.438	S	S	.	.	H	α-helix	trans	-65.5	-22.8	174.6	-72.3	-58.3	0	0	0	113.5	I66 Y67 L68	I66-N70 WeakPolarHBondContact CG2-ND2 3.09Å; I66-N70 WeakPolarHBondContact O-CB 3.46Å; I66-N70 PolarHBondContact O-N 3.1Å; I66-N70 PolarHBondContact O-ND2 2.83Å; Y67-N70 PolarHBondContact O-N 3.37Å; L68-N70 PolarHBondContact O-N 2.95Å
71	L	68.9	Low	67.8	Low	26 Å²	26	82.9 Å²	82.9	14%	0.136	43%	0.427	C	S	.	.	H	α-helix	trans	-72.2	-34.3	172	-70.6	177.7	0	0	0	112.3	Y67 L68 Y69 R92 A93 S96	Y67-L71 HydrophobicContact CD1-CD1 4.03Å; Y67-L71 HydrophobicContact CD1-CG 4.48Å; Y67-L71 HydrophobicContact CE1-CD1 3.57Å; Y67-L71 HydrophobicContact CE1-CG 4.19Å; Y67-L71 WeakPolarHBondContact O-CG 3.26Å; Y67-L71 PolarHBondContact O-N 3.28Å; L68-L71 HydrophobicContact CD2-CD1 4.44Å; L68-L71 VanDerWaalsContact O-CB 3.31Å; L68-L71 WeakPolarHBondContact O-CB 3.21Å; L68-L71 PolarHBondContact O-N 2.99Å; Y69-L71 PolarHBondContact O-N 2.93Å; L71-R92 WeakPolarHBondContact O-CD 3.43Å; L71-A93 VanDerWaalsContact CD2-CA 3.5Å; L71-A93 HydrophobicContact CD2-CB 3.8Å; L71-S96 VanDerWaalsContact CD2-OG 3.23Å; L71-S96 WeakPolarHBondContact CD2-OG 3.04Å
72	F	68.3	Low	66.1	Low	150 Å²	150	89 Å²	89	66%	0.658	45%	0.446	S	S	*	.	H	α-helix	trans	-93.3	-23.3	-176.2	-71.4	-70.4	0	0	0	114.2	L68 Y69	L68-F72 HydrophobicContact CD2-CE2 4.32Å; L68-F72 WeakPolarHBondContact O-CD2 3.39Å; L68-F72 PolarHBondContact O-N 2.76Å; Y69-F72 PolarHBondContact O-N 3.11Å; Y69-F72 VanDerWaalsContact O-N 3.11Å
73	I	64	Low	64.8	Low	59 Å²	59	96.4 Å²	96.4	30%	0.303	47%	0.47	S	S	.	.	S	Bend	trans	-69.9	136.6	168	-56.9	163.5	0	0	0	108.2	Y69 D75 R92	Y69-I73 HydrophobicContact CD1-CD1 3.45Å; Y69-I73 VanDerWaalsContact CD1-CD1 3.45Å; Y69-I73 HydrophobicContact CD1-CG1 4.27Å; Y69-I73 HydrophobicContact CD2-CD1 4.25Å; Y69-I73 HydrophobicContact CD2-CG1 4.22Å; Y69-I73 HydrophobicContact CE1-CD1 3.02Å; Y69-I73 HydrophobicContact CE1-CG1 3.95Å; Y69-I73 HydrophobicContact CE2-CD1 3.89Å; Y69-I73 HydrophobicContact CE2-CG1 3.86Å; Y69-I73 HydrophobicContact CG-CD1 4.04Å; Y69-I73 HydrophobicContact CG-CG1 4.39Å; Y69-I73 WeakPolarHBondContact O-CG1 3.33Å; Y69-I73 PolarHBondContact O-N 3.49Å; I73-D75 PolarHBondContact O-N 3.44Å; I73-R92 PolarHBondContact O-NH1 3.46Å
74	P	54.6	Low	63.8	Low	68 Å²	68	95.7 Å²	95.7	44%	0.442	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-52	130.1	167.6	20.9	-32.2	0	0	0	110.1	W76 E78	P74-W76 PolarHBondContact O-N 3.34Å; P74-E78 WeakPolarHBondContact CA-OE2 3.46Å; P74-E78 HydrophobicContact CB-CB 4.35Å; P74-E78 HydrophobicContact CB-CG 4.46Å; P74-E78 WeakPolarHBondContact CB-OE2 3.43Å
75	D	60.6	Low	62.9	Low	31 Å²	31	95 Å²	95	17%	0.166	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-58.5	144.1	175.8	-161.5	-37.5	0	0	0	108.2	I73 R77 E78 Y86	I73-D75 PolarHBondContact O-N 3.44Å; D75-R77 HydrophobicContact CB-CB 4.35Å; D75-R77 VanDerWaalsContact CG-NE 3.26Å; D75-R77 PolarHBondContact O-N 2.83Å; D75-R77 WeakPolarHBondContact OD1-CG 3.35Å; D75-R77 PolarHBondContact OD1-N 2.97Å; D75-R77 IonicContact OD1-NE 2.98Å; D75-R77 PolarHBondContact OD1-NE 3.25Å; D75-R77 IonicContact OD2-CZ 3.04Å; D75-R77 IonicContact OD2-NE 3.09Å; D75-R77 PolarHBondContact OD2-NE 3.07Å; D75-R77 IonicContact OD2-NH2 2.97Å; D75-R77 PolarHBondContact OD2-NH2 3.08Å; D75-E78 WeakPolarHBondContact O-CA 3.32Å; D75-E78 WeakPolarHBondContact O-CB 3.39Å; D75-E78 PolarHBondContact O-N 3.06Å; D75-Y86 HydrophobicContact CB-CD1 4.13Å; D75-Y86 HydrophobicContact CB-CE1 4.22Å
76	W	60.9	Low	61.9	Low	145 Å²	145	91.7 Å²	91.7	55%	0.549	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-21.7	173.8	73.4	-76.2	0	0	0	111.6	P74 L79 Q80 P313	P74-W76 PolarHBondContact O-N 3.34Å; W76-L79 WeakPolarHBondContact O-CB 3.38Å; W76-L79 PolarHBondContact O-N 3.48Å; W76-Q80 VanDerWaalsContact CZ3-OE1 3.27Å; W76-P313 HydrophobicContact CH2-CG 4.3Å
77	R	59	Low	61	Low	57 Å²	57	92 Å²	92	22%	0.215	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-30.6	172.8	-58.3	179	-74.7	178.3	-7.1	113.6	D75 L79 Q80 D81 Y86	D75-R77 HydrophobicContact CB-CB 4.35Å; D75-R77 VanDerWaalsContact CG-NE 3.26Å; D75-R77 PolarHBondContact O-N 2.83Å; D75-R77 WeakPolarHBondContact OD1-CG 3.35Å; D75-R77 PolarHBondContact OD1-N 2.97Å; D75-R77 IonicContact OD1-NE 2.98Å; D75-R77 PolarHBondContact OD1-NE 3.25Å; D75-R77 IonicContact OD2-CZ 3.04Å; D75-R77 IonicContact OD2-NE 3.09Å; D75-R77 PolarHBondContact OD2-NE 3.07Å; D75-R77 IonicContact OD2-NH2 2.97Å; D75-R77 PolarHBondContact OD2-NH2 3.08Å; R77-L79 PolarHBondContact O-N 3.5Å; R77-Q80 PolarHBondContact O-N 3.49Å; R77-Q80 VanDerWaalsContact O-N 3.08Å; R77-D81 PolarHBondContact O-N 2.9Å; R77-Y86 HydrophobicContact CB-CE1 3.93Å; R77-Y86 HydrophobicContact CB-CE2 3.69Å; R77-Y86 WeakPolarHBondContact CB-OH 3.34Å; R77-Y86 WeakPolarHBondContact CD-OH 3.5Å; R77-Y86 PolarHBondContact NE-OH 2.95Å
78	E	55.2	Low	60.7	Low	47 Å²	47	89.7 Å²	89.7	22%	0.22	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-29.9	173.1	-166.2	167.6	-166.1	0	0	111.2	P74 D75 Q80 D81 Y86 R92	P74-E78 WeakPolarHBondContact CA-OE2 3.46Å; P74-E78 HydrophobicContact CB-CB 4.35Å; P74-E78 HydrophobicContact CB-CG 4.46Å; P74-E78 WeakPolarHBondContact CB-OE2 3.43Å; D75-E78 WeakPolarHBondContact O-CA 3.32Å; D75-E78 WeakPolarHBondContact O-CB 3.39Å; D75-E78 PolarHBondContact O-N 3.06Å; E78-Q80 VanDerWaalsContact C-N 3.27Å; E78-Q80 PolarHBondContact O-N 3.19Å; E78-D81 CarbonylContact O-C 3.53Å; E78-Y86 HydrophobicContact CB-CD2 4.14Å; E78-Y86 HydrophobicContact CB-CG 4.13Å; E78-Y86 HydrophobicContact CG-CG 4.49Å; E78-R92 VanDerWaalsContact CD-NH2 3.29Å; E78-R92 IonicContact OE1-NH2 3.81Å; E78-R92 PolarHBondContact OE1-NH2 3.37Å; E78-R92 IonicContact OE2-CZ 3.35Å; E78-R92 VanDerWaalsContact OE2-CZ 3.27Å; E78-R92 IonicContact OE2-NE 2.75Å; E78-R92 IonicContact OE2-NH1 2.62Å; E78-R92 IonicContact OE2-NH2 2.63Å; E78-R92 PolarHBondContact OE2-NH2 2.86Å
79	L	52.8	Low	60.5	Low	148 Å²	148	93.2 Å²	93.2	78%	0.775	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.6	172.5	-59.8	172.8	0	0	0	113.2	W76 R77	W76-L79 WeakPolarHBondContact O-CB 3.38Å; W76-L79 PolarHBondContact O-N 3.48Å; R77-L79 PolarHBondContact O-N 3.5Å
80	Q	54	Low	60.7	Low	151 Å²	151	91.2 Å²	91.2	71%	0.706	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-24.3	-179.4	-168.1	152.3	-9.8	0	0	112.3	W76 R77 E78	W76-Q80 VanDerWaalsContact CZ3-OE1 3.27Å; R77-Q80 PolarHBondContact O-N 3.49Å; R77-Q80 VanDerWaalsContact O-N 3.08Å; E78-Q80 VanDerWaalsContact C-N 3.27Å; E78-Q80 PolarHBondContact O-N 3.19Å
81	D	52.8	Low	60.9	Low	58 Å²	58	87 Å²	87	31%	0.31	41%	0.412	S	S	.	.			trans	-151.7	110.2	176.1	-178.9	0.9	0	0	0	110.8	R77 E78 K83 H84	R77-D81 PolarHBondContact O-N 2.9Å; E78-D81 CarbonylContact O-C 3.53Å; D81-K83 VanDerWaalsContact C-N 3.3Å; D81-K83 PolarHBondContact O-N 3.35Å; D81-K83 PolarHBondContact OD1-N 3.07Å; D81-H84 IonicContact OD1-CE1 2.66Å; D81-H84 IonicContact OD1-CG 3.72Å; D81-H84 IonicContact OD1-ND1 2.79Å; D81-H84 PolarHBondContact OD1-ND1 3.45Å; D81-H84 VanDerWaalsContact OD1-ND1 3.09Å; D81-H84 IonicContact OD2-CD2 3.71Å; D81-H84 PolarHBondContact OD2-CD2 3.36Å; D81-H84 IonicContact OD2-CE1 3.48Å; D81-H84 PolarHBondContact OD2-CE1 2.83Å; D81-H84 IonicContact OD2-CG 2.63Å; D81-H84 IonicContact OD2-ND1 3.88Å; D81-H84 PolarHBondContact OD2-ND1 3.27Å; D81-H84 IonicContact OD2-NE2 3.31Å
82	E	48.3	Very low	61.2	Low	185 Å²	185	87.2 Å²	87.2	86%	0.864	41%	0.411	S	S	*	.	S	Bend	trans	-74.2	-16.2	179.8	-66.8	-173.1	162	0	0	113.3
83	K	51.5	Low	61.6	Low	182 Å²	182	81 Å²	81	79%	0.791	39%	0.388	S	S	*	.	S	Bend	trans	-92.1	-18.9	-161.8	-78.3	-178.3	-178.9	178.4	0	116.2	D81	D81-K83 VanDerWaalsContact C-N 3.3Å; D81-K83 PolarHBondContact O-N 3.35Å; D81-K83 PolarHBondContact OD1-N 3.07Å
84	H	58.1	Low	62.3	Low	38 Å²	38	81 Å²	81	18%	0.176	38%	0.384	C	S	.	.	S	Bend	trans	-103.9	-49.2	-144.7	-81.4	48.6	0	0	0	118.6	D81 H261	D81-H84 IonicContact OD1-CE1 2.66Å; D81-H84 IonicContact OD1-CG 3.72Å; D81-H84 IonicContact OD1-ND1 2.79Å; D81-H84 PolarHBondContact OD1-ND1 3.45Å; D81-H84 VanDerWaalsContact OD1-ND1 3.09Å; D81-H84 IonicContact OD2-CD2 3.71Å; D81-H84 PolarHBondContact OD2-CD2 3.36Å; D81-H84 IonicContact OD2-CE1 3.48Å; D81-H84 PolarHBondContact OD2-CE1 2.83Å; D81-H84 IonicContact OD2-CG 2.63Å; D81-H84 IonicContact OD2-ND1 3.88Å; D81-H84 PolarHBondContact OD2-ND1 3.27Å; D81-H84 IonicContact OD2-NE2 3.31Å; H84-H261 AromaticContact CD2-CD2 3.32Å; H84-H261 PolarHBondContact CD2-CD2 3.46Å; H84-H261 AromaticContact CD2-CE1 3.22Å; H84-H261 PolarHBondContact CD2-CE1 2.97Å; H84-H261 AromaticContact CD2-CG 3.14Å; H84-H261 AromaticContact CD2-ND1 3.04Å; H84-H261 PolarHBondContact CD2-ND1 3.41Å; H84-H261 AromaticContact CD2-NE2 3.42Å; H84-H261 PolarHBondContact CD2-NE2 2.9Å; H84-H261 AromaticContact CE1-CE1 3.55Å; H84-H261 AromaticContact CE1-NE2 3.81Å; H84-H261 AromaticContact CG-CD2 3.59Å; H84-H261 AromaticContact CG-CE1 3.89Å; H84-H261 AromaticContact CG-CG 3.87Å; H84-H261 AromaticContact CG-NE2 3.66Å; H84-H261 AromaticContact ND1-NE2 3.94Å; H84-H261 AromaticContact NE2-CD2 3.9Å; H84-H261 AromaticContact NE2-CE1 2.94Å; H84-H261 PolarHBondContact NE2-CE1 2.92Å; H84-H261 AromaticContact NE2-CG 3.71Å; H84-H261 AromaticContact NE2-ND1 3.08Å; H84-H261 PolarHBondContact NE2-ND1 3.39Å; H84-H261 AromaticContact NE2-NE2 3.51Å
85	Y	58.7	Low	63.3	Low	15 Å²	15	78.1 Å²	78.1	6%	0.059	37%	0.366	C	S	.	.	S	Bend	trans	-164	-7.5	-178.9	63.9	-84.9	0	0	0	115.6	S87 I265	Y85-S87 VanDerWaalsContact C-N 3.27Å; Y85-S87 PolarHBondContact O-N 2.84Å; Y85-I265 HydrophobicContact CD1-CD1 3.34Å; Y85-I265 HydrophobicContact CD1-CG1 4.11Å; Y85-I265 HydrophobicContact CD2-CD1 4.47Å; Y85-I265 HydrophobicContact CE1-CD1 3.34Å; Y85-I265 HydrophobicContact CE1-CG1 3.66Å; Y85-I265 HydrophobicContact CE2-CD1 4.46Å; Y85-I265 HydrophobicContact CG-CD1 3.9Å
86	Y	56.8	Low	64	Low	16 Å²	16	78.9 Å²	78.9	6%	0.063	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-16.4	-175.9	-58.5	-71.1	0	0	0	113.6	D75 R77 E78 D88 R92	D75-Y86 HydrophobicContact CB-CD1 4.13Å; D75-Y86 HydrophobicContact CB-CE1 4.22Å; R77-Y86 HydrophobicContact CB-CE1 3.93Å; R77-Y86 HydrophobicContact CB-CE2 3.69Å; R77-Y86 WeakPolarHBondContact CB-OH 3.34Å; R77-Y86 WeakPolarHBondContact CD-OH 3.5Å; R77-Y86 PolarHBondContact NE-OH 2.95Å; E78-Y86 HydrophobicContact CB-CD2 4.14Å; E78-Y86 HydrophobicContact CB-CG 4.13Å; E78-Y86 HydrophobicContact CG-CG 4.49Å; Y86-D88 VanDerWaalsContact C-N 3.28Å; Y86-D88 PolarHBondContact O-N 2.81Å; Y86-R92 PolarHBondContact O-NE 3.06Å; Y86-R92 VanDerWaalsContact O-NE 3.13Å; Y86-R92 PolarHBondContact O-NH2 2.79Å
87	S	59.4	Low	64.9	Low	111 Å²	111	75.4 Å²	75.4	78%	0.776	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-31.9	-179.3	56.6	0	0	0	0	112.8	Y85	Y85-S87 VanDerWaalsContact C-N 3.27Å; Y85-S87 PolarHBondContact O-N 2.84Å
88	D	70.5	Confident	65.9	Low	52 Å²	52	77.1 Å²	77.1	28%	0.278	38%	0.384	S	S	.	.	S	Bend	trans	-86.7	112.7	171.5	-173.2	-7.5	0	0	0	110.5	Y86 K90 L91 R92	Y86-D88 VanDerWaalsContact C-N 3.28Å; Y86-D88 PolarHBondContact O-N 2.81Å; D88-K90 PolarHBondContact O-N 3.25Å; D88-K90 VanDerWaalsContact O-N 3.12Å; D88-K90 VanDerWaalsContact OD1-CB 3.31Å; D88-K90 WeakPolarHBondContact OD1-CB 3.39Å; D88-K90 PolarHBondContact OD1-N 3.45Å; D88-L91 HydrophobicContact CB-CB 4.26Å; D88-L91 HydrophobicContact CB-CD1 3.99Å; D88-L91 HydrophobicContact CB-CG 3.92Å; D88-L91 PolarHBondContact O-N 2.95Å; D88-R92 PolarHBondContact O-N 3.2Å
89	W	70.8	Confident	67.1	Low	165 Å²	165	75.8 Å²	75.8	63%	0.625	38%	0.378	S	S	*	.	H	α-helix	trans	-56.5	-28.4	176.5	75.8	-91	0	0	0	112.8	R92 A93	W89-R92 PolarHBondContact O-N 2.95Å; W89-A93 VanDerWaalsContact O-CB 3.29Å; W89-A93 WeakPolarHBondContact O-CB 3.19Å; W89-A93 PolarHBondContact O-N 2.9Å
90	K	78.8	Confident	68.3	Low	112 Å²	112	70.6 Å²	70.6	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-40.9	176.4	-63.7	176	-177.9	170.6	0	111.2	D88 A93 Y94	D88-K90 PolarHBondContact O-N 3.25Å; D88-K90 VanDerWaalsContact O-N 3.12Å; D88-K90 VanDerWaalsContact OD1-CB 3.31Å; D88-K90 WeakPolarHBondContact OD1-CB 3.39Å; D88-K90 PolarHBondContact OD1-N 3.45Å; K90-A93 PolarHBondContact O-N 2.77Å; K90-Y94 WeakPolarHBondContact O-CB 3.32Å; K90-Y94 PolarHBondContact O-N 2.88Å
91	L	74.9	Confident	69.4	Low	11 Å²	11	65.2 Å²	65.2	6%	0.058	33%	0.332	C	S	.	.	H	α-helix	trans	-70.2	-39.6	176.1	-62.4	-178.7	0	0	0	110.7	D88 A93 Y94 S95 R258 M259	D88-L91 HydrophobicContact CB-CB 4.26Å; D88-L91 HydrophobicContact CB-CD1 3.99Å; D88-L91 HydrophobicContact CB-CG 3.92Å; D88-L91 PolarHBondContact O-N 2.95Å; L91-A93 PolarHBondContact O-N 2.97Å; L91-Y94 PolarHBondContact O-N 2.9Å; L91-S95 VanDerWaalsContact O-CB 3.26Å; L91-S95 WeakPolarHBondContact O-CB 3.3Å; L91-S95 PolarHBondContact O-N 3.12Å; L91-S95 PolarHBondContact O-OG 2.85Å; L91-S95 VanDerWaalsContact O-OG 3.07Å; L91-R258 VanDerWaalsContact CD1-O 3.32Å; L91-R258 WeakPolarHBondContact CD1-O 3.23Å; L91-R258 HydrophobicContact CD2-CG 4.21Å; L91-R258 WeakPolarHBondContact CD2-O 3.28Å; L91-M259 HydrophobicContact CB-CE 4.25Å; L91-M259 HydrophobicContact CD2-CB 4.49Å; L91-M259 HydrophobicContact CD2-CE 3.71Å; L91-M259 HydrophobicContact CG-CE 4.44Å
92	R	74.4	Confident	70.8	Confident	30 Å²	30	66.6 Å²	66.6	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-59.5	-46.5	172.8	-164	-175.4	-57.8	-176.7	-5.7	111.6	L71 I73 E78 Y86 D88 W89 S95 S96	L71-R92 WeakPolarHBondContact O-CD 3.43Å; I73-R92 PolarHBondContact O-NH1 3.46Å; E78-R92 VanDerWaalsContact CD-NH2 3.29Å; E78-R92 IonicContact OE1-NH2 3.81Å; E78-R92 PolarHBondContact OE1-NH2 3.37Å; E78-R92 IonicContact OE2-CZ 3.35Å; E78-R92 VanDerWaalsContact OE2-CZ 3.27Å; E78-R92 IonicContact OE2-NE 2.75Å; E78-R92 IonicContact OE2-NH1 2.62Å; E78-R92 IonicContact OE2-NH2 2.63Å; E78-R92 PolarHBondContact OE2-NH2 2.86Å; Y86-R92 PolarHBondContact O-NE 3.06Å; Y86-R92 VanDerWaalsContact O-NE 3.13Å; Y86-R92 PolarHBondContact O-NH2 2.79Å; D88-R92 PolarHBondContact O-N 3.2Å; W89-R92 PolarHBondContact O-N 2.95Å; R92-S95 PolarHBondContact O-N 3.41Å; R92-S96 WeakPolarHBondContact O-CB 3.38Å; R92-S96 PolarHBondContact O-N 2.92Å
93	A	77.2	Confident	72.6	Confident	20 Å²	20	57.9 Å²	57.9	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-45.8	176.5	0	0	0	0	0	112.2	L71 W89 K90 L91 S96 L97	L71-A93 VanDerWaalsContact CD2-CA 3.5Å; L71-A93 HydrophobicContact CD2-CB 3.8Å; W89-A93 VanDerWaalsContact O-CB 3.29Å; W89-A93 WeakPolarHBondContact O-CB 3.19Å; W89-A93 PolarHBondContact O-N 2.9Å; K90-A93 PolarHBondContact O-N 2.77Å; L91-A93 PolarHBondContact O-N 2.97Å; A93-S96 PolarHBondContact O-N 2.91Å; A93-S96 PolarHBondContact O-OG 2.94Å; A93-L97 PolarHBondContact O-N 3.07Å
94	Y	79.2	Confident	74	Confident	59 Å²	59	53.9 Å²	53.9	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-45.2	175.9	-177.8	-108.1	0	0	0	112.5	K90 L91 S96 L97 L99 L249 M259	K90-Y94 WeakPolarHBondContact O-CB 3.32Å; K90-Y94 PolarHBondContact O-N 2.88Å; L91-Y94 PolarHBondContact O-N 2.9Å; Y94-S96 PolarHBondContact O-N 2.87Å; Y94-L97 HydrophobicContact CD2-CD1 3.9Å; Y94-L97 HydrophobicContact CE2-CD1 4.36Å; Y94-L97 VanDerWaalsContact O-CB 3.26Å; Y94-L97 WeakPolarHBondContact O-CB 3.36Å; Y94-L97 WeakPolarHBondContact O-CG 3.25Å; Y94-L97 PolarHBondContact O-N 2.84Å; Y94-L99 HydrophobicContact CE1-CD1 4.02Å; Y94-L99 HydrophobicContact CE2-CD1 4.1Å; Y94-L249 HydrophobicContact CD1-CD2 4.18Å; Y94-L249 HydrophobicContact CE1-CB 4.19Å; Y94-L249 HydrophobicContact CE1-CD2 3.78Å; Y94-L249 HydrophobicContact CE1-CG 4.43Å; Y94-M259 HydrophobicContact CD1-CE 4Å
95	S	75.2	Confident	75.2	Confident	7 Å²	7	58.1 Å²	58.1	5%	0.049	30%	0.297	C	S	.	.	H	α-helix	trans	-72	-14.5	178.2	-64.9	0	0	0	0	113.9	L91 R92	L91-S95 VanDerWaalsContact O-CB 3.26Å; L91-S95 WeakPolarHBondContact O-CB 3.3Å; L91-S95 PolarHBondContact O-N 3.12Å; L91-S95 PolarHBondContact O-OG 2.85Å; L91-S95 VanDerWaalsContact O-OG 3.07Å; R92-S95 PolarHBondContact O-N 3.41Å
96	S	75.3	Confident	76.5	Confident	47 Å²	47	58.4 Å²	58.4	33%	0.329	30%	0.302	S	S	.	.	H	α-helix	trans	-83.3	-16.1	172.2	79.5	0	0	0	0	113.2	Y67 L71 R92 A93 Y94	Y67-S96 PolarHBondContact OH-OG 2.81Å; L71-S96 VanDerWaalsContact CD2-OG 3.23Å; L71-S96 WeakPolarHBondContact CD2-OG 3.04Å; R92-S96 WeakPolarHBondContact O-CB 3.38Å; R92-S96 PolarHBondContact O-N 2.92Å; A93-S96 PolarHBondContact O-N 2.91Å; A93-S96 PolarHBondContact O-OG 2.94Å; Y94-S96 PolarHBondContact O-N 2.87Å
97	L	79.4	Confident	77.8	Confident	73 Å²	73	58 Å²	58	38%	0.382	30%	0.303	S	S	.	.	S	Bend	trans	-60.7	145.1	174.5	-65.4	174.5	0	0	0	109.3	A93 Y94 L99	A93-L97 PolarHBondContact O-N 3.07Å; Y94-L97 HydrophobicContact CD2-CD1 3.9Å; Y94-L97 HydrophobicContact CE2-CD1 4.36Å; Y94-L97 VanDerWaalsContact O-CB 3.26Å; Y94-L97 WeakPolarHBondContact O-CB 3.36Å; Y94-L97 WeakPolarHBondContact O-CG 3.25Å; Y94-L97 PolarHBondContact O-N 2.84Å; L97-L99 HydrophobicContact CB-CD1 4.42Å; L97-L99 HydrophobicContact CB-CD2 4.19Å; L97-L99 HydrophobicContact CB-CG 3.86Å; L97-L99 PolarHBondContact O-N 2.91Å
98	P	80.6	Confident	79	Confident	93 Å²	93	54.8 Å²	54.8	60%	0.604	29%	0.288	S	S	*	.			trans	-76.7	49.1	-178.2	34.5	-38	0	0	0	111.6	N100 A101 L102	P98-N100 VanDerWaalsContact C-N 3.3Å; P98-N100 PolarHBondContact O-N 3.18Å; P98-A101 HydrophobicContact CB-CB 4.12Å; P98-A101 CarbonylContact O-C 3.48Å; P98-A101 WeakPolarHBondContact O-CA 3.39Å; P98-A101 WeakPolarHBondContact O-CB 3.35Å; P98-A101 PolarHBondContact O-N 2.77Å; P98-L102 PolarHBondContact O-N 2.8Å
99	L	80.3	Confident	79.8	Confident	19 Å²	19	57 Å²	57	10%	0.099	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-35.1	-171.8	-67.1	174.7	0	0	0	112.7	Y94 L97 A101 L102 S103 L249	Y94-L99 HydrophobicContact CE1-CD1 4.02Å; Y94-L99 HydrophobicContact CE2-CD1 4.1Å; L97-L99 HydrophobicContact CB-CD1 4.42Å; L97-L99 HydrophobicContact CB-CD2 4.19Å; L97-L99 HydrophobicContact CB-CG 3.86Å; L97-L99 PolarHBondContact O-N 2.91Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 2.85Å; L99-L102 HydrophobicContact CD2-CD2 4.47Å; L99-L102 PolarHBondContact O-N 3.43Å; L99-S103 VanDerWaalsContact O-CB 3.29Å; L99-S103 WeakPolarHBondContact O-CB 3.31Å; L99-S103 PolarHBondContact O-N 3.03Å; L99-S103 PolarHBondContact O-OG 2.73Å; L99-L249 HydrophobicContact CD1-CD2 3.46Å; L99-L249 VanDerWaalsContact CD1-CD2 3.46Å
100	N	77.7	Confident	80.6	Confident	38 Å²	38	49.4 Å²	49.4	20%	0.203	27%	0.271	C	S	.	.	H	α-helix	trans	-67.2	-36.3	172.9	-62.7	36.4	0	0	0	111.5	P98 S103 R104 G246 L248	P98-N100 VanDerWaalsContact C-N 3.3Å; P98-N100 PolarHBondContact O-N 3.18Å; N100-S103 PolarHBondContact O-N 2.69Å; N100-R104 WeakPolarHBondContact O-CG 3.41Å; N100-R104 PolarHBondContact O-N 2.94Å; N100-G246 PolarHBondContact ND2-O 3.27Å; N100-L248 PolarHBondContact OD1-N 3.42Å; N100-L248 VanDerWaalsContact OD1-N 3.08Å
101	A	77.6	Confident	81.2	Confident	38 Å²	38	48.2 Å²	48.2	31%	0.314	27%	0.27	S	S	.	.	H	α-helix	trans	-70	-39.8	175.1	0	0	0	0	0	112.2	P98 L99 S103 R104 F105	P98-A101 HydrophobicContact CB-CB 4.12Å; P98-A101 CarbonylContact O-C 3.48Å; P98-A101 WeakPolarHBondContact O-CA 3.39Å; P98-A101 WeakPolarHBondContact O-CB 3.35Å; P98-A101 PolarHBondContact O-N 2.77Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 2.85Å; A101-S103 VanDerWaalsContact C-N 3.34Å; A101-R104 PolarHBondContact O-N 2.79Å; A101-F105 WeakPolarHBondContact O-CB 3.35Å; A101-F105 PolarHBondContact O-N 3.41Å
102	L	83.3	Confident	82	Confident	87 Å²	87	51.6 Å²	51.6	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-40.4	173.1	-177.3	59.6	0	0	0	111.3	P98 L99 F105 A106	P98-L102 PolarHBondContact O-N 2.8Å; L99-L102 HydrophobicContact CD2-CD2 4.47Å; L99-L102 PolarHBondContact O-N 3.43Å; L102-F105 HydrophobicContact CD1-CD1 4.44Å; L102-F105 WeakPolarHBondContact O-CB 3.22Å; L102-F105 PolarHBondContact O-N 2.79Å; L102-A106 WeakPolarHBondContact O-CB 3.5Å; L102-A106 PolarHBondContact O-N 3.29Å
103	S	84.1	Confident	83.1	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.014	32%	0.315	C	S	.	.	H	α-helix	trans	-66.9	-39.9	177.6	-56.9	0	0	0	0	111.6	L99 N100 A101 F105 A106 G107 N289	L99-S103 VanDerWaalsContact O-CB 3.29Å; L99-S103 WeakPolarHBondContact O-CB 3.31Å; L99-S103 PolarHBondContact O-N 3.03Å; L99-S103 PolarHBondContact O-OG 2.73Å; N100-S103 PolarHBondContact O-N 2.69Å; A101-S103 VanDerWaalsContact C-N 3.34Å; S103-F105 VanDerWaalsContact C-N 3.35Å; S103-F105 PolarHBondContact O-N 2.92Å; S103-A106 PolarHBondContact O-N 3.11Å; S103-G107 PolarHBondContact O-N 3.45Å; S103-N289 PolarHBondContact OG-N 3.11Å
104	R	81.8	Confident	84	Confident	98 Å²	98	57.4 Å²	57.4	37%	0.37	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-41	170.4	-75.7	-175.4	-73.8	114.5	-0.9	112.5	N100 A101 G108 N304	N100-R104 WeakPolarHBondContact O-CG 3.41Å; N100-R104 PolarHBondContact O-N 2.94Å; A101-R104 PolarHBondContact O-N 2.79Å; R104-G108 PolarHBondContact O-N 3.38Å; R104-N304 VanDerWaalsContact CD-O 3.3Å; R104-N304 WeakPolarHBondContact CD-O 3.41Å; R104-N304 WeakPolarHBondContact CG-ND2 3.31Å; R104-N304 WeakPolarHBondContact CG-OD1 3.38Å
105	F	83.2	Confident	84.8	Confident	128 Å²	128	57.1 Å²	57.1	56%	0.561	32%	0.317	S	S	*	.	H	α-helix	trans	-65.3	-45.6	176.6	177.3	-105.6	0	0	0	111.3	A101 L102 S103 G108 L109	A101-F105 WeakPolarHBondContact O-CB 3.35Å; A101-F105 PolarHBondContact O-N 3.41Å; L102-F105 HydrophobicContact CD1-CD1 4.44Å; L102-F105 WeakPolarHBondContact O-CB 3.22Å; L102-F105 PolarHBondContact O-N 2.79Å; S103-F105 VanDerWaalsContact C-N 3.35Å; S103-F105 PolarHBondContact O-N 2.92Å; F105-G108 PolarHBondContact O-N 3.21Å; F105-L109 HydrophobicContact CD1-CD1 3.89Å; F105-L109 HydrophobicContact CD1-CG 4.38Å; F105-L109 HydrophobicContact CE1-CD1 3.29Å; F105-L109 HydrophobicContact CE1-CG 3.99Å; F105-L109 HydrophobicContact CE2-CD1 4.36Å; F105-L109 HydrophobicContact CE2-CD2 4.4Å; F105-L109 HydrophobicContact CE2-CG 4.23Å; F105-L109 HydrophobicContact CZ-CD1 3.57Å; F105-L109 HydrophobicContact CZ-CD2 4.15Å; F105-L109 HydrophobicContact CZ-CG 3.91Å; F105-L109 WeakPolarHBondContact O-CG 3.13Å; F105-L109 PolarHBondContact O-N 3.46Å
106	A	85.3	Confident	85.9	Confident	21 Å²	21	60.2 Å²	60.2	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-60.6	-44.8	175.1	0	0	0	0	0	111.6	L102 S103 G108 L109 A110 N289	L102-A106 WeakPolarHBondContact O-CB 3.5Å; L102-A106 PolarHBondContact O-N 3.29Å; S103-A106 PolarHBondContact O-N 3.11Å; A106-G108 VanDerWaalsContact C-N 3.35Å; A106-G108 PolarHBondContact O-N 3.01Å; A106-L109 PolarHBondContact O-N 2.62Å; A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 3.35Å; A106-N289 HydrophobicContact CB-CB 4.29Å
107	G	84.5	Confident	86.9	Confident	8 Å²	8	66.1 Å²	66.1	8%	0.082	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-40	173.7	0	0	0	0	0	112.6	S103 A110 N111	S103-G107 PolarHBondContact O-N 3.45Å; G107-A110 PolarHBondContact O-N 2.67Å; G107-N111 PolarHBondContact O-N 3.24Å; G107-N111 PolarHBondContact O-ND2 2.86Å
108	G	84.7	Confident	87.7	Confident	43 Å²	43	65 Å²	65	44%	0.443	34%	0.344	S	S	.	.	H	α-helix	trans	-62.1	-46.4	172.8	0	0	0	0	0	112.4	R104 F105 A106 A110 N111	R104-G108 PolarHBondContact O-N 3.38Å; F105-G108 PolarHBondContact O-N 3.21Å; A106-G108 VanDerWaalsContact C-N 3.35Å; A106-G108 PolarHBondContact O-N 3.01Å; G108-A110 VanDerWaalsContact C-N 3.33Å; G108-A110 PolarHBondContact O-N 3.41Å; G108-N111 PolarHBondContact O-N 3.17Å
109	L	87.3	Confident	88.5	Confident	98 Å²	98	61.3 Å²	61.3	51%	0.513	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-38.1	175.4	-74.1	-177.6	0	0	0	112.5	F105 A106 N111 V112	F105-L109 HydrophobicContact CD1-CD1 3.89Å; F105-L109 HydrophobicContact CD1-CG 4.38Å; F105-L109 HydrophobicContact CE1-CD1 3.29Å; F105-L109 HydrophobicContact CE1-CG 3.99Å; F105-L109 HydrophobicContact CE2-CD1 4.36Å; F105-L109 HydrophobicContact CE2-CD2 4.4Å; F105-L109 HydrophobicContact CE2-CG 4.23Å; F105-L109 HydrophobicContact CZ-CD1 3.57Å; F105-L109 HydrophobicContact CZ-CD2 4.15Å; F105-L109 HydrophobicContact CZ-CG 3.91Å; F105-L109 WeakPolarHBondContact O-CG 3.13Å; F105-L109 PolarHBondContact O-N 3.46Å; A106-L109 PolarHBondContact O-N 2.62Å; L109-N111 PolarHBondContact O-N 3.34Å; L109-V112 HydrophobicContact CD2-CG2 4.42Å; L109-V112 WeakPolarHBondContact O-CB 3.31Å; L109-V112 PolarHBondContact O-N 2.75Å
110	A	88.2	Confident	89.3	Confident	6 Å²	6	61.6 Å²	61.6	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-24.2	178.6	0	0	0	0	0	112.4	A106 G107 G108 T147 L148 A149 L336	A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 3.35Å; G107-A110 PolarHBondContact O-N 2.67Å; G108-A110 VanDerWaalsContact C-N 3.33Å; G108-A110 PolarHBondContact O-N 3.41Å; A110-T147 VanDerWaalsContact O-CB 3.31Å; A110-T147 WeakPolarHBondContact O-CB 3.01Å; A110-L148 HydrophobicContact CB-CB 4.44Å; A110-L148 PolarHBondContact O-N 2.74Å; A110-L148 VanDerWaalsContact O-N 3.1Å; A110-A149 HydrophobicContact CB-CB 4.14Å; A110-A149 WeakPolarHBondContact O-CB 3.12Å; A110-A149 PolarHBondContact O-N 3.41Å; A110-L336 HydrophobicContact CB-CD1 4.4Å
111	N	90.6	Very high	90.3	Very high	87 Å²	87	66.5 Å²	66.5	47%	0.465	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	2.6	176.7	-73.6	-70.1	0	0	0	114	G107 G108 L109 T147	G107-N111 PolarHBondContact O-N 3.24Å; G107-N111 PolarHBondContact O-ND2 2.86Å; G108-N111 PolarHBondContact O-N 3.17Å; L109-N111 PolarHBondContact O-N 3.34Å; N111-T147 WeakPolarHBondContact O-CG2 3.29Å
112	V	92.7	Very high	91.1	Very high	82 Å²	82	67 Å²	67	50%	0.497	34%	0.337	S	S	.	.	S	Bend	trans	-71.3	132.5	175.8	174.6	0	0	0	0	109.9	L109 I114	L109-V112 HydrophobicContact CD2-CG2 4.42Å; L109-V112 WeakPolarHBondContact O-CB 3.31Å; L109-V112 PolarHBondContact O-N 2.75Å; V112-I114 PolarHBondContact O-N 2.88Å
113	Y	96.2	Very high	91.8	Very high	154 Å²	154	62.8 Å²	62.8	60%	0.604	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-64.8	125.3	177.1	-169.8	-89.9	0	0	0	111.3	R119 P146	Y113-R119 PolarHBondContact OH-NH2 3.48Å; Y113-P146 HydrophobicContact CD2-CB 3.87Å; Y113-P146 HydrophobicContact CE2-CB 3.78Å
114	I	96.3	Very high	92.4	Very high	17 Å²	17	65.7 Å²	65.7	9%	0.087	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-96.2	126.3	179.1	-58.3	171	0	0	0	108.6	V112 V116 L118 R119 I122 F123 P146	V112-I114 PolarHBondContact O-N 2.88Å; I114-V116 PolarHBondContact O-N 2.87Å; I114-L118 HydrophobicContact CG2-CB 4.06Å; I114-L118 HydrophobicContact CG2-CD2 4.43Å; I114-L118 HydrophobicContact CG2-CG 4.3Å; I114-R119 HydrophobicContact CB-CG 4.02Å; I114-R119 HydrophobicContact CG2-CB 4.49Å; I114-R119 HydrophobicContact CG2-CG 3.75Å; I114-R119 PolarHBondContact O-NE 2.84Å; I114-R119 PolarHBondContact O-NH2 3.4Å; I114-R119 VanDerWaalsContact O-NH2 3.1Å; I114-I122 HydrophobicContact CD1-CD1 4.23Å; I114-I122 HydrophobicContact CD1-CG2 4.28Å; I114-I122 HydrophobicContact CG1-CD1 4.49Å; I114-I122 HydrophobicContact CG2-CD1 3.84Å; I114-F123 HydrophobicContact CD1-CE1 3.86Å; I114-F123 HydrophobicContact CD1-CZ 3.86Å; I114-P146 PolarHBondContact N-O 2.86Å
115	P	97.3	Very high	93.1	Very high	54 Å²	54	67.2 Å²	67.2	35%	0.351	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-54.2	137.8	173.2	-26.1	34.6	0	0	0	112	W117 L118 R119	P115-W117 VanDerWaalsContact C-N 3.26Å; P115-W117 PolarHBondContact O-N 2.85Å; P115-W117 VanDerWaalsContact O-N 3.13Å; P115-L118 WeakPolarHBondContact O-CA 3.26Å; P115-L118 WeakPolarHBondContact O-CB 3.31Å; P115-L118 PolarHBondContact O-N 2.63Å; P115-R119 PolarHBondContact O-N 3Å
116	V	97	Very high	93.6	Very high	71 Å²	71	62.5 Å²	62.5	43%	0.43	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-51.2	-43.7	-172.1	179.9	0	0	0	0	112.6	I114 L118 R119 P120 F143	I114-V116 PolarHBondContact O-N 2.87Å; V116-L118 PolarHBondContact O-N 2.85Å; V116-R119 PolarHBondContact O-N 3.43Å; V116-P120 WeakPolarHBondContact O-CD 3.41Å; V116-F143 HydrophobicContact CG1-CB 4.44Å; V116-F143 HydrophobicContact CG1-CD1 3.6Å; V116-F143 HydrophobicContact CG1-CE1 4.31Å; V116-F143 HydrophobicContact CG1-CG 4.43Å; V116-F143 WeakPolarHBondContact O-CD1 3.36Å
117	W	97.3	Very high	94.2	Very high	172 Å²	172	62.9 Å²	62.9	65%	0.652	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-65.4	-21.2	179.6	65.3	-96.1	0	0	0	114.4	P115	P115-W117 VanDerWaalsContact C-N 3.26Å; P115-W117 PolarHBondContact O-N 2.85Å; P115-W117 VanDerWaalsContact O-N 3.13Å
118	L	96.7	Very high	94.7	Very high	50 Å²	50	72.6 Å²	72.6	26%	0.262	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-95.2	-22.2	-177.9	-171.3	61.1	0	0	0	112.4	I114 P115 V116 K121 I122	I114-L118 HydrophobicContact CG2-CB 4.06Å; I114-L118 HydrophobicContact CG2-CD2 4.43Å; I114-L118 HydrophobicContact CG2-CG 4.3Å; P115-L118 WeakPolarHBondContact O-CA 3.26Å; P115-L118 WeakPolarHBondContact O-CB 3.31Å; P115-L118 PolarHBondContact O-N 2.63Å; V116-L118 PolarHBondContact O-N 2.85Å; L118-K121 HydrophobicContact CD1-CB 4.34Å; L118-K121 HydrophobicContact CD1-CD 4.3Å; L118-K121 PolarHBondContact O-N 2.96Å; L118-K121 VanDerWaalsContact O-N 3.11Å; L118-I122 HydrophobicContact CD1-CD1 4.43Å; L118-I122 HydrophobicContact CD1-CG1 4.34Å; L118-I122 HydrophobicContact CD2-CD1 3.69Å; L118-I122 HydrophobicContact CD2-CG1 4.46Å; L118-I122 HydrophobicContact CG-CD1 3.61Å; L118-I122 HydrophobicContact CG-CG1 3.94Å; L118-I122 PolarHBondContact O-N 3.11Å; L118-I122 VanDerWaalsContact O-N 3.09Å
119	R	97.3	Very high	95.2	Very high	15 Å²	15	73.8 Å²	73.8	6%	0.057	36%	0.361	C	S	.	.	H	α-helix	trans	-51.4	-53.4	-178.2	-70.4	172.4	-169.1	179.8	3.3	113.3	Y113 I114 P115 V116 K121 I122 F123 F143 Y145	Y113-R119 PolarHBondContact OH-NH2 3.48Å; I114-R119 HydrophobicContact CB-CG 4.02Å; I114-R119 HydrophobicContact CG2-CB 4.49Å; I114-R119 HydrophobicContact CG2-CG 3.75Å; I114-R119 PolarHBondContact O-NE 2.84Å; I114-R119 PolarHBondContact O-NH2 3.4Å; I114-R119 VanDerWaalsContact O-NH2 3.1Å; P115-R119 PolarHBondContact O-N 3Å; V116-R119 PolarHBondContact O-N 3.43Å; R119-K121 PolarHBondContact O-N 3.32Å; R119-I122 PolarHBondContact O-N 2.85Å; R119-F123 HydrophobicContact CB-CD2 3.89Å; R119-F123 HydrophobicContact CB-CE2 3.58Å; R119-F123 HydrophobicContact CB-CZ 4.5Å; R119-F123 HydrophobicContact CG-CE2 3.84Å; R119-F123 HydrophobicContact CG-CZ 4.41Å; R119-F123 WeakPolarHBondContact O-CB 3.48Å; R119-F123 WeakPolarHBondContact O-CD2 3.1Å; R119-F123 VanDerWaalsContact O-CG 3.3Å; R119-F123 WeakPolarHBondContact O-CG 3.33Å; R119-F123 PolarHBondContact O-N 2.82Å; R119-F143 VanDerWaalsContact CD-O 3.31Å; R119-F143 WeakPolarHBondContact CD-O 3.37Å; R119-F143 PolarHBondContact NH1-O 2.84Å; R119-Y145 WeakPolarHBondContact CD-O 3.39Å; R119-Y145 PolarHBondContact NE-O 2.83Å
120	P	97.1	Very high	95.5	Very high	24 Å²	24	74 Å²	74	16%	0.156	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-31.7	-178.4	-19	31.2	0	0	0	112.6	V116 N124 L142 F143	V116-P120 WeakPolarHBondContact O-CD 3.41Å; P120-N124 WeakPolarHBondContact O-CB 3.47Å; P120-N124 VanDerWaalsContact O-CG 3.24Å; P120-N124 PolarHBondContact O-N 2.92Å; P120-N124 PolarHBondContact O-ND2 2.78Å; P120-L142 HydrophobicContact CB-CD1 4.48Å; P120-F143 HydrophobicContact CG-CD1 3.72Å; P120-F143 HydrophobicContact CG-CD2 4.27Å; P120-F143 HydrophobicContact CG-CE1 3.26Å; P120-F143 HydrophobicContact CG-CE2 3.85Å; P120-F143 HydrophobicContact CG-CG 4.22Å; P120-F143 HydrophobicContact CG-CZ 3.34Å
121	K	97.2	Very high	95.7	Very high	141 Å²	141	80.3 Å²	80.3	61%	0.613	39%	0.389	S	S	*	.	H	α-helix	trans	-69.2	-47.2	179.5	-63.8	-178.9	-179.7	179.4	0	110.9	L118 R119 M125	L118-K121 HydrophobicContact CD1-CB 4.34Å; L118-K121 HydrophobicContact CD1-CD 4.3Å; L118-K121 PolarHBondContact O-N 2.96Å; L118-K121 VanDerWaalsContact O-N 3.11Å; R119-K121 PolarHBondContact O-N 3.32Å; K121-M125 WeakPolarHBondContact O-CB 3.4Å; K121-M125 PolarHBondContact O-N 2.82Å; K121-M125 VanDerWaalsContact O-N 3.13Å
122	I	95.8	Very high	95.9	Very high	48 Å²	48	76.4 Å²	76.4	25%	0.246	37%	0.368	C	S	.	.	H	α-helix	trans	-66.5	-49.3	179.3	-69.5	178.1	0	0	0	110.5	I114 L118 R119 M125 Y126	I114-I122 HydrophobicContact CD1-CD1 4.23Å; I114-I122 HydrophobicContact CD1-CG2 4.28Å; I114-I122 HydrophobicContact CG1-CD1 4.49Å; I114-I122 HydrophobicContact CG2-CD1 3.84Å; L118-I122 HydrophobicContact CD1-CD1 4.43Å; L118-I122 HydrophobicContact CD1-CG1 4.34Å; L118-I122 HydrophobicContact CD2-CD1 3.69Å; L118-I122 HydrophobicContact CD2-CG1 4.46Å; L118-I122 HydrophobicContact CG-CD1 3.61Å; L118-I122 HydrophobicContact CG-CG1 3.94Å; L118-I122 PolarHBondContact O-N 3.11Å; L118-I122 VanDerWaalsContact O-N 3.09Å; R119-I122 PolarHBondContact O-N 2.85Å; I122-M125 WeakPolarHBondContact O-CB 3.45Å; I122-M125 PolarHBondContact O-N 2.92Å; I122-Y126 PolarHBondContact O-N 3.44Å
123	F	97	Very high	95.9	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-68.5	-39.7	-177.1	-58.7	-38.4	0	0	0	111.8	I114 R119 M125 Y126 I127 L142 Y145 L148 F151	I114-F123 HydrophobicContact CD1-CE1 3.86Å; I114-F123 HydrophobicContact CD1-CZ 3.86Å; R119-F123 HydrophobicContact CB-CD2 3.89Å; R119-F123 HydrophobicContact CB-CE2 3.58Å; R119-F123 HydrophobicContact CB-CZ 4.5Å; R119-F123 HydrophobicContact CG-CE2 3.84Å; R119-F123 HydrophobicContact CG-CZ 4.41Å; R119-F123 WeakPolarHBondContact O-CB 3.48Å; R119-F123 WeakPolarHBondContact O-CD2 3.1Å; R119-F123 VanDerWaalsContact O-CG 3.3Å; R119-F123 WeakPolarHBondContact O-CG 3.33Å; R119-F123 PolarHBondContact O-N 2.82Å; F123-M125 VanDerWaalsContact C-N 3.31Å; F123-M125 PolarHBondContact O-N 2.84Å; F123-Y126 PolarHBondContact O-N 2.85Å; F123-Y126 VanDerWaalsContact O-N 3.14Å; F123-I127 WeakPolarHBondContact O-CB 3.4Å; F123-I127 WeakPolarHBondContact O-CD1 3.18Å; F123-I127 WeakPolarHBondContact O-CG1 3.38Å; F123-I127 PolarHBondContact O-N 3.02Å; F123-L142 HydrophobicContact CB-CD1 4.22Å; F123-L142 HydrophobicContact CB-CD2 4.05Å; F123-L142 HydrophobicContact CD2-CB 4.18Å; F123-L142 WeakPolarHBondContact CD2-O 3.2Å; F123-L142 WeakPolarHBondContact CE2-O 3.37Å; F123-Y145 WeakPolarHBondContact CE2-O 3.49Å; F123-Y145 WeakPolarHBondContact CZ-O 3.46Å; F123-L148 HydrophobicContact CD1-CD1 4.37Å; F123-L148 HydrophobicContact CE1-CD1 4.27Å; F123-F151 HydrophobicContact CB-CD2 4.14Å; F123-F151 HydrophobicContact CB-CE2 4.04Å; F123-F151 HydrophobicContact CD1-CB 3.91Å; F123-F151 HydrophobicContact CD1-CD1 4.11Å; F123-F151 AromaticContact CD1-CD2 3.92Å; F123-F151 HydrophobicContact CD1-CD2 3.92Å; F123-F151 AromaticContact CD1-CG 3.68Å; F123-F151 HydrophobicContact CD1-CG 3.68Å; F123-F151 HydrophobicContact CD2-CD2 4.3Å; F123-F151 HydrophobicContact CE1-CB 3.62Å; F123-F151 HydrophobicContact CE1-CD2 4.43Å; F123-F151 AromaticContact CE1-CG 3.95Å; F123-F151 HydrophobicContact CE1-CG 3.95Å; F123-F151 AromaticContact CG-CD2 3.87Å; F123-F151 HydrophobicContact CG-CD2 3.87Å; F123-F151 HydrophobicContact CG-CE2 4.29Å; F123-F151 HydrophobicContact CG-CG 4.13Å; F123-F151 HydrophobicContact CZ-CB 4Å
124	N	97.6	Very high	95.9	Very high	63 Å²	63	70 Å²	70	34%	0.337	34%	0.335	S	S	.	.	H	α-helix	trans	-63.2	-35.9	173.4	-79.8	-52.9	0	0	0	113	P120 Y126 R128	P120-N124 WeakPolarHBondContact O-CB 3.47Å; P120-N124 VanDerWaalsContact O-CG 3.24Å; P120-N124 PolarHBondContact O-N 2.92Å; P120-N124 PolarHBondContact O-ND2 2.78Å; N124-Y126 VanDerWaalsContact C-N 3.33Å; N124-R128 WeakPolarHBondContact O-CB 3.5Å; N124-R128 VanDerWaalsContact O-CG 3.22Å; N124-R128 WeakPolarHBondContact O-CG 3.47Å; N124-R128 PolarHBondContact O-N 3.11Å
125	M	96.5	Very high	95.8	Very high	130 Å²	130	74 Å²	74	64%	0.64	36%	0.357	S	S	*	.	H	α-helix	trans	-62.4	-43.5	173.5	-179.9	-176.2	65.1	0	0	110.9	K121 I122 F123 A129	K121-M125 WeakPolarHBondContact O-CB 3.4Å; K121-M125 PolarHBondContact O-N 2.82Å; K121-M125 VanDerWaalsContact O-N 3.13Å; I122-M125 WeakPolarHBondContact O-CB 3.45Å; I122-M125 PolarHBondContact O-N 2.92Å; F123-M125 VanDerWaalsContact C-N 3.31Å; F123-M125 PolarHBondContact O-N 2.84Å; M125-A129 WeakPolarHBondContact O-CB 3.27Å; M125-A129 PolarHBondContact O-N 2.87Å
126	Y	94	Very high	95.8	Very high	28 Å²	28	71.7 Å²	71.7	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-46.7	176.9	-168.8	-82.3	0	0	0	112	I122 F123 N124 R128 A129 Y130 C132 L148 F151 F152 P224	I122-Y126 PolarHBondContact O-N 3.44Å; F123-Y126 PolarHBondContact O-N 2.85Å; F123-Y126 VanDerWaalsContact O-N 3.14Å; N124-Y126 VanDerWaalsContact C-N 3.33Å; Y126-R128 VanDerWaalsContact C-N 3.31Å; Y126-R128 PolarHBondContact O-N 3.19Å; Y126-A129 PolarHBondContact O-N 2.74Å; Y126-A129 VanDerWaalsContact O-N 3.12Å; Y126-Y130 AromaticContact CD1-CD2 3.89Å; Y126-Y130 HydrophobicContact CD1-CD2 3.89Å; Y126-Y130 AromaticContact CD2-CD2 3.75Å; Y126-Y130 HydrophobicContact CD2-CD2 3.75Å; Y126-Y130 AromaticContact CD2-CE2 3.79Å; Y126-Y130 HydrophobicContact CD2-CE2 3.79Å; Y126-Y130 AromaticContact CE1-CD2 3.67Å; Y126-Y130 HydrophobicContact CE1-CD2 3.67Å; Y126-Y130 HydrophobicContact CE1-CE2 4.47Å; Y126-Y130 HydrophobicContact CE1-CG 4.31Å; Y126-Y130 AromaticContact CE2-CD2 3.52Å; Y126-Y130 HydrophobicContact CE2-CD2 3.52Å; Y126-Y130 AromaticContact CE2-CE2 3.49Å; Y126-Y130 HydrophobicContact CE2-CE2 3.49Å; Y126-Y130 VanDerWaalsContact CE2-CE2 3.49Å; Y126-Y130 AromaticContact CG-CD2 3.93Å; Y126-Y130 HydrophobicContact CG-CD2 3.93Å; Y126-Y130 HydrophobicContact CG-CE2 4.41Å; Y126-Y130 AromaticContact CZ-CD2 3.47Å; Y126-Y130 VanDerWaalsContact CZ-CD2 3.47Å; Y126-Y130 AromaticContact CZ-CE2 3.86Å; Y126-Y130 PolarHBondContact O-N 2.89Å; Y126-C132 VanDerWaalsContact CD1-SG 3.53Å; Y126-C132 WeakPolarHBondContact CE1-SG 3.39Å; Y126-L148 HydrophobicContact CD2-CD1 4.1Å; Y126-L148 HydrophobicContact CE2-CD1 4.46Å; Y126-L148 HydrophobicContact CG-CD1 4.44Å; Y126-F151 HydrophobicContact CD1-CD1 4.43Å; Y126-F151 AromaticContact CD1-CE1 3.61Å; Y126-F151 HydrophobicContact CD1-CE1 3.61Å; Y126-F151 HydrophobicContact CD1-CZ 4.45Å; Y126-F151 HydrophobicContact CE1-CE1 4.1Å; Y126-F151 HydrophobicContact CG-CE1 4.33Å; Y126-F152 WeakPolarHBondContact OH-CE2 3.48Å; Y126-P224 WeakPolarHBondContact OH-CB 3.19Å; Y126-P224 PolarHBondContact OH-O 2.96Å
127	I	96.4	Very high	95.8	Very high	30 Å²	30	68.3 Å²	68.3	15%	0.154	32%	0.321	C	S	.	.	H	α-helix	trans	-54.6	-47.5	176.7	-69.8	160	0	0	0	110.3	F123 A129 Y130 D131 C132 M134 L142 F151	F123-I127 WeakPolarHBondContact O-CB 3.4Å; F123-I127 WeakPolarHBondContact O-CD1 3.18Å; F123-I127 WeakPolarHBondContact O-CG1 3.38Å; F123-I127 PolarHBondContact O-N 3.02Å; I127-A129 PolarHBondContact O-N 2.79Å; I127-Y130 PolarHBondContact O-N 3.41Å; I127-D131 VanDerWaalsContact O-CA 3.24Å; I127-D131 WeakPolarHBondContact O-CA 3.35Å; I127-D131 PolarHBondContact O-N 2.88Å; I127-C132 HydrophobicContact CB-CB 4.31Å; I127-C132 HydrophobicContact CG1-CB 3.91Å; I127-C132 HydrophobicContact CG2-CB 4.43Å; I127-C132 PolarHBondContact O-N 2.88Å; I127-M134 HydrophobicContact CD1-CG 3.6Å; I127-M134 HydrophobicContact CD1-SD 4.4Å; I127-M134 HydrophobicContact CG1-CG 4.04Å; I127-L142 HydrophobicContact CD1-CD1 4.1Å; I127-L142 HydrophobicContact CD1-CD2 3.89Å; I127-F151 HydrophobicContact CD1-CE2 4.21Å; I127-F151 HydrophobicContact CD1-CZ 4.14Å; I127-F151 HydrophobicContact CG1-CE2 4.29Å; I127-F151 HydrophobicContact CG1-CZ 3.71Å
128	R	96.4	Very high	95.7	Very high	212 Å²	212	66 Å²	66	80%	0.8	32%	0.317	S	S	*	.	H	α-helix	trans	-67	-35.9	178.7	-71.1	172.7	-175.2	-174.1	0.8	113.1	N124 Y126	N124-R128 WeakPolarHBondContact O-CB 3.5Å; N124-R128 VanDerWaalsContact O-CG 3.22Å; N124-R128 WeakPolarHBondContact O-CG 3.47Å; N124-R128 PolarHBondContact O-N 3.11Å; Y126-R128 VanDerWaalsContact C-N 3.31Å; Y126-R128 PolarHBondContact O-N 3.19Å
129	A	94.7	Very high	95.7	Very high	68 Å²	68	66.7 Å²	66.7	56%	0.562	32%	0.323	S	S	*	.	H	α-helix	trans	-73.4	-29.9	-178.5	0	0	0	0	0	112.9	M125 Y126 I127	M125-A129 WeakPolarHBondContact O-CB 3.27Å; M125-A129 PolarHBondContact O-N 2.87Å; Y126-A129 PolarHBondContact O-N 2.74Å; Y126-A129 VanDerWaalsContact O-N 3.12Å; I127-A129 PolarHBondContact O-N 2.79Å
130	Y	92.4	Very high	95.7	Very high	102 Å²	102	70.9 Å²	70.9	40%	0.4	34%	0.344	S	S	.	.	H	α-helix	trans	-125.1	4.9	-171.5	-62.6	-65.9	0	0	0	115.1	Y126 I127 C132 P224 G225	Y126-Y130 AromaticContact CD1-CD2 3.89Å; Y126-Y130 HydrophobicContact CD1-CD2 3.89Å; Y126-Y130 AromaticContact CD2-CD2 3.75Å; Y126-Y130 HydrophobicContact CD2-CD2 3.75Å; Y126-Y130 AromaticContact CD2-CE2 3.79Å; Y126-Y130 HydrophobicContact CD2-CE2 3.79Å; Y126-Y130 AromaticContact CE1-CD2 3.67Å; Y126-Y130 HydrophobicContact CE1-CD2 3.67Å; Y126-Y130 HydrophobicContact CE1-CE2 4.47Å; Y126-Y130 HydrophobicContact CE1-CG 4.31Å; Y126-Y130 AromaticContact CE2-CD2 3.52Å; Y126-Y130 HydrophobicContact CE2-CD2 3.52Å; Y126-Y130 AromaticContact CE2-CE2 3.49Å; Y126-Y130 HydrophobicContact CE2-CE2 3.49Å; Y126-Y130 VanDerWaalsContact CE2-CE2 3.49Å; Y126-Y130 AromaticContact CG-CD2 3.93Å; Y126-Y130 HydrophobicContact CG-CD2 3.93Å; Y126-Y130 HydrophobicContact CG-CE2 4.41Å; Y126-Y130 AromaticContact CZ-CD2 3.47Å; Y126-Y130 VanDerWaalsContact CZ-CD2 3.47Å; Y126-Y130 AromaticContact CZ-CE2 3.86Å; Y126-Y130 PolarHBondContact O-N 2.89Å; I127-Y130 PolarHBondContact O-N 3.41Å; Y130-C132 PolarHBondContact O-N 2.87Å; Y130-P224 HydrophobicContact CD1-CB 3.7Å; Y130-P224 HydrophobicContact CD1-CG 4.08Å; Y130-P224 HydrophobicContact CD2-CB 4.44Å; Y130-P224 HydrophobicContact CE1-CB 3.9Å; Y130-P224 HydrophobicContact CE1-CG 3.98Å; Y130-P224 HydrophobicContact CG-CB 3.98Å; Y130-G225 VanDerWaalsContact O-CA 3.29Å; Y130-G225 WeakPolarHBondContact O-CA 3.34Å
131	D	93.6	Very high	95.7	Very high	138 Å²	138	73.9 Å²	73.9	74%	0.738	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	49	-179.4	-164	37.6	0	0	0	113.1	I127 R133	I127-D131 VanDerWaalsContact O-CA 3.24Å; I127-D131 WeakPolarHBondContact O-CA 3.35Å; I127-D131 PolarHBondContact O-N 2.88Å; D131-R133 PolarHBondContact O-N 2.91Å
132	C	94.3	Very high	95.6	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.041	34%	0.335	C	S	.	.			trans	-72	117.9	178.1	-63	0	0	0	0	110.9	Y126 I127 Y130 M134 F151	Y126-C132 VanDerWaalsContact CD1-SG 3.53Å; Y126-C132 WeakPolarHBondContact CE1-SG 3.39Å; I127-C132 HydrophobicContact CB-CB 4.31Å; I127-C132 HydrophobicContact CG1-CB 3.91Å; I127-C132 HydrophobicContact CG2-CB 4.43Å; I127-C132 PolarHBondContact O-N 2.88Å; Y130-C132 PolarHBondContact O-N 2.87Å; C132-M134 PolarHBondContact O-N 3.32Å; C132-F151 HydrophobicContact CB-CZ 4.36Å
133	R	93.7	Very high	95.7	Very high	78 Å²	78	70.6 Å²	70.6	29%	0.294	34%	0.343	S	S	.	.			trans	-72.1	113.3	170.7	-66	-161	-59.5	-108.9	-8.2	110.5	D131 D135 E136 R154 D173	D131-R133 PolarHBondContact O-N 2.91Å; R133-D135 WeakPolarHBondContact CB-OD1 3.26Å; R133-E136 HydrophobicContact CB-CG 3.76Å; R133-E136 IonicContact CZ-OE2 3.62Å; R133-E136 IonicContact NE-OE1 2.88Å; R133-E136 IonicContact NE-OE2 2.73Å; R133-E136 PolarHBondContact NE-OE2 3.5Å; R133-E136 IonicContact NH2-OE1 3.39Å; R133-E136 IonicContact NH2-OE2 3.34Å; R133-E136 PolarHBondContact NH2-OE2 3.27Å; R133-E136 WeakPolarHBondContact O-CG 3.48Å; R133-R154 PolarHBondContact O-NH2 2.87Å; R133-D173 IonicContact NH2-OD2 3.05Å
134	M	94.9	Very high	95.7	Very high	23 Å²	23	73 Å²	73	11%	0.113	36%	0.363	C	S	.	.			trans	-98.7	-19.5	177.9	-70.6	-53.7	-57.1	0	0	112.9	I127 C132 E136 A137 E140 L142 Y145 F151 R154	I127-M134 HydrophobicContact CD1-CG 3.6Å; I127-M134 HydrophobicContact CD1-SD 4.4Å; I127-M134 HydrophobicContact CG1-CG 4.04Å; C132-M134 PolarHBondContact O-N 3.32Å; M134-E136 PolarHBondContact O-N 2.87Å; M134-A137 HydrophobicContact CE-CB 3.81Å; M134-A137 VanDerWaalsContact O-CB 3.31Å; M134-A137 WeakPolarHBondContact O-CB 3.11Å; M134-A137 PolarHBondContact O-N 3.05Å; M134-A137 VanDerWaalsContact O-N 3.09Å; M134-E140 WeakPolarHBondContact O-CG 3.48Å; M134-L142 HydrophobicContact CE-CD2 3.96Å; M134-L142 HydrophobicContact CG-CD2 4.46Å; M134-Y145 HydrophobicContact CE-CE2 3.87Å; M134-F151 HydrophobicContact CE-CE2 3.92Å; M134-F151 HydrophobicContact SD-CD2 4.41Å; M134-F151 HydrophobicContact SD-CE2 3.41Å; M134-F151 WeakPolarHBondContact SD-CE2 3.18Å; M134-F151 HydrophobicContact SD-CZ 3.77Å; M134-R154 PolarHBondContact SD-NE 3.13Å
135	D	95.7	Very high	95.6	Very high	101 Å²	101	70.9 Å²	70.9	54%	0.54	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-24.5	174.5	58.9	-57.9	0	0	0	113.1	R133 K157	R133-D135 WeakPolarHBondContact CB-OD1 3.26Å; D135-K157 PolarHBondContact O-NZ 3.31Å
136	E	96	Very high	95.6	Very high	5 Å²	5	66.9 Å²	66.9	2%	0.023	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.1	175.7	58.9	179.6	-148.2	0	0	114.4	R133 M134 L156 K157 V160 R161	R133-E136 HydrophobicContact CB-CG 3.76Å; R133-E136 IonicContact CZ-OE2 3.62Å; R133-E136 IonicContact NE-OE1 2.88Å; R133-E136 IonicContact NE-OE2 2.73Å; R133-E136 PolarHBondContact NE-OE2 3.5Å; R133-E136 IonicContact NH2-OE1 3.39Å; R133-E136 IonicContact NH2-OE2 3.34Å; R133-E136 PolarHBondContact NH2-OE2 3.27Å; R133-E136 WeakPolarHBondContact O-CG 3.48Å; M134-E136 PolarHBondContact O-N 2.87Å; E136-L156 HydrophobicContact CB-CD2 4.46Å; E136-L156 HydrophobicContact CG-CD2 3.98Å; E136-L156 WeakPolarHBondContact O-CA 3.23Å; E136-K157 PolarHBondContact O-N 3.08Å; E136-V160 HydrophobicContact CB-CB 4.33Å; E136-V160 HydrophobicContact CB-CG1 4.42Å; E136-V160 HydrophobicContact CB-CG2 3.9Å; E136-R161 IonicContact OE1-CZ 2.77Å; E136-R161 IonicContact OE1-NH2 3.32Å; E136-R161 PolarHBondContact OE1-NH2 2.8Å; E136-R161 IonicContact OE2-CZ 2.86Å; E136-R161 VanDerWaalsContact OE2-CZ 3.24Å; E136-R161 IonicContact OE2-NH1 3.92Å; E136-R161 PolarHBondContact OE2-NH1 3.3Å; E136-R161 IonicContact OE2-NH2 3.86Å; E136-R161 PolarHBondContact OE2-NH2 2.66Å
137	A	96.4	Very high	95.7	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-69.1	143.8	-178.8	0	0	0	0	0	110.8	M134 V139 R154 K157	M134-A137 HydrophobicContact CE-CB 3.81Å; M134-A137 VanDerWaalsContact O-CB 3.31Å; M134-A137 WeakPolarHBondContact O-CB 3.11Å; M134-A137 PolarHBondContact O-N 3.05Å; M134-A137 VanDerWaalsContact O-N 3.09Å; A137-V139 VanDerWaalsContact C-N 3.25Å; A137-V139 PolarHBondContact O-N 3.48Å; A137-R154 HydrophobicContact CB-CG 4.44Å; A137-K157 WeakPolarHBondContact O-CE 3.29Å; A137-K157 WeakPolarHBondContact O-CG 3.42Å
138	E	96.3	Very high	95.5	Very high	124 Å²	124	67.2 Å²	67.2	58%	0.579	34%	0.339	S	S	*	.	S	Bend	trans	-59.2	-40.4	174.4	-176.5	177.3	-166.5	0	0	111.4	S155	E138-S155 PolarHBondContact N-O 2.93Å; E138-S155 WeakPolarHBondContact OE2-CB 3.49Å
139	V	97	Very high	95.2	Very high	64 Å²	64	57.5 Å²	57.5	39%	0.388	30%	0.304	S	S	.	.			trans	-116.1	100.4	175.8	-177.2	0	0	0	0	109.3	A137 D141 A144 Y145	A137-V139 VanDerWaalsContact C-N 3.25Å; A137-V139 PolarHBondContact O-N 3.48Å; V139-D141 VanDerWaalsContact C-N 3.26Å; V139-D141 HydrophobicContact CG1-CB 4.37Å; V139-D141 PolarHBondContact O-N 2.85Å; V139-A144 HydrophobicContact CG1-CB 3.5Å; V139-Y145 WeakPolarHBondContact O-CE2 3.45Å; V139-Y145 PolarHBondContact O-OH 2.79Å
140	E	96.4	Very high	95.1	Very high	104 Å²	104	55.8 Å²	55.8	49%	0.486	29%	0.29	S	S	.	.			trans	-72.1	-23.1	-179.3	-56.4	-171.6	-158.4	0	0	113	M134 L142 K157	M134-E140 WeakPolarHBondContact O-CG 3.48Å; E140-L142 PolarHBondContact O-N 2.8Å; E140-L142 VanDerWaalsContact O-N 3.17Å; E140-K157 IonicContact OE1-NZ 3.73Å; E140-K157 PolarHBondContact OE1-NZ 2.8Å
141	D	96.6	Very high	95.2	Very high	87 Å²	87	51 Å²	51	47%	0.465	27%	0.271	S	S	.	.			trans	-67.7	112.7	-177.2	-178	13.8	0	0	0	112.1	V139 F143 A144	V139-D141 VanDerWaalsContact C-N 3.26Å; V139-D141 HydrophobicContact CG1-CB 4.37Å; V139-D141 PolarHBondContact O-N 2.85Å; D141-F143 PolarHBondContact O-N 2.96Å; D141-F143 WeakPolarHBondContact OD1-CB 3.05Å; D141-F143 VanDerWaalsContact OD1-CD2 3.23Å; D141-F143 WeakPolarHBondContact OD1-CD2 3.43Å; D141-F143 PolarHBondContact OD1-N 3.09Å; D141-A144 VanDerWaalsContact O-CB 3.3Å; D141-A144 WeakPolarHBondContact O-CB 3.32Å; D141-A144 PolarHBondContact O-N 2.82Å
142	L	96.7	Very high	95.1	Very high	23 Å²	23	44.6 Å²	44.6	12%	0.12	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.1	177.9	-60.4	-175.3	0	0	0	113.2	P120 F123 I127 M134 E140 A144 F151	P120-L142 HydrophobicContact CB-CD1 4.48Å; F123-L142 HydrophobicContact CB-CD1 4.22Å; F123-L142 HydrophobicContact CB-CD2 4.05Å; F123-L142 HydrophobicContact CD2-CB 4.18Å; F123-L142 WeakPolarHBondContact CD2-O 3.2Å; F123-L142 WeakPolarHBondContact CE2-O 3.37Å; I127-L142 HydrophobicContact CD1-CD1 4.1Å; I127-L142 HydrophobicContact CD1-CD2 3.89Å; M134-L142 HydrophobicContact CE-CD2 3.96Å; M134-L142 HydrophobicContact CG-CD2 4.46Å; E140-L142 PolarHBondContact O-N 2.8Å; E140-L142 VanDerWaalsContact O-N 3.17Å; L142-A144 PolarHBondContact O-N 2.96Å; L142-F151 HydrophobicContact CD2-CD2 4.48Å; L142-F151 HydrophobicContact CD2-CE2 4Å
143	F	97.3	Very high	95	Very high	96 Å²	96	45.4 Å²	45.4	42%	0.421	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-22.2	175.5	-67.5	-75.9	0	0	0	112.4	V116 R119 P120 D141 Y145	V116-F143 HydrophobicContact CG1-CB 4.44Å; V116-F143 HydrophobicContact CG1-CD1 3.6Å; V116-F143 HydrophobicContact CG1-CE1 4.31Å; V116-F143 HydrophobicContact CG1-CG 4.43Å; V116-F143 WeakPolarHBondContact O-CD1 3.36Å; R119-F143 VanDerWaalsContact CD-O 3.31Å; R119-F143 WeakPolarHBondContact CD-O 3.37Å; R119-F143 PolarHBondContact NH1-O 2.84Å; P120-F143 HydrophobicContact CG-CD1 3.72Å; P120-F143 HydrophobicContact CG-CD2 4.27Å; P120-F143 HydrophobicContact CG-CE1 3.26Å; P120-F143 HydrophobicContact CG-CE2 3.85Å; P120-F143 HydrophobicContact CG-CG 4.22Å; P120-F143 HydrophobicContact CG-CZ 3.34Å; D141-F143 PolarHBondContact O-N 2.96Å; D141-F143 WeakPolarHBondContact OD1-CB 3.05Å; D141-F143 VanDerWaalsContact OD1-CD2 3.23Å; D141-F143 WeakPolarHBondContact OD1-CD2 3.43Å; D141-F143 PolarHBondContact OD1-N 3.09Å; F143-Y145 PolarHBondContact O-N 3.42Å
144	A	96.5	Very high	95	Very high	50 Å²	50	42 Å²	42	41%	0.413	23%	0.228	S	C	.	.	S	Bend	trans	-72.9	-26.8	-176.3	0	0	0	0	0	113.6	V139 D141 L142 P146	V139-A144 HydrophobicContact CG1-CB 3.5Å; D141-A144 VanDerWaalsContact O-CB 3.3Å; D141-A144 WeakPolarHBondContact O-CB 3.32Å; D141-A144 PolarHBondContact O-N 2.82Å; L142-A144 PolarHBondContact O-N 2.96Å; A144-P146 VanDerWaalsContact O-CD 3.28Å; A144-P146 WeakPolarHBondContact O-CD 3.25Å
145	Y	96.7	Very high	95	Very high	19 Å²	19	43.9 Å²	43.9	8%	0.075	24%	0.243	C	C	.	.			trans	-82.6	113.8	-175	-61.8	-75.3	0	0	0	112.3	R119 F123 M134 V139 F143 T147 A150 F151 R154	R119-Y145 WeakPolarHBondContact CD-O 3.39Å; R119-Y145 PolarHBondContact NE-O 2.83Å; F123-Y145 WeakPolarHBondContact CE2-O 3.49Å; F123-Y145 WeakPolarHBondContact CZ-O 3.46Å; M134-Y145 HydrophobicContact CE-CE2 3.87Å; V139-Y145 WeakPolarHBondContact O-CE2 3.45Å; V139-Y145 PolarHBondContact O-OH 2.79Å; F143-Y145 PolarHBondContact O-N 3.42Å; Y145-T147 PolarHBondContact O-N 2.89Å; Y145-A150 HydrophobicContact CD1-CB 4.47Å; Y145-A150 WeakPolarHBondContact CD1-O 3.38Å; Y145-F151 HydrophobicContact CD1-CB 4.36Å; Y145-F151 HydrophobicContact CD2-CD2 4.02Å; Y145-F151 HydrophobicContact CE2-CD2 4.27Å; Y145-F151 HydrophobicContact CG-CB 4.11Å; Y145-F151 HydrophobicContact CG-CD2 4.34Å; Y145-R154 HydrophobicContact CE1-CB 3.66Å; Y145-R154 WeakPolarHBondContact OH-CB 3.39Å
146	P	96.3	Very high	95	Very high	47 Å²	47	39.9 Å²	39.9	31%	0.305	22%	0.222	S	C	.	.			trans	-73.6	-25.5	-175.3	28.9	-35.4	0	0	0	114.1	Y113 I114 A144 A150	Y113-P146 HydrophobicContact CD2-CB 3.87Å; Y113-P146 HydrophobicContact CE2-CB 3.78Å; I114-P146 PolarHBondContact N-O 2.86Å; A144-P146 VanDerWaalsContact O-CD 3.28Å; A144-P146 WeakPolarHBondContact O-CD 3.25Å; P146-A150 HydrophobicContact CG-CB 4.11Å
147	T	94.9	Very high	95	Very high	18 Å²	18	42.7 Å²	42.7	11%	0.11	23%	0.234	C	C	.	.	S	Bend	trans	-141.8	164.2	-172.1	70.3	0	0	0	0	110.8	A110 N111 Y145 A149 A150 F151	A110-T147 VanDerWaalsContact O-CB 3.31Å; A110-T147 WeakPolarHBondContact O-CB 3.01Å; N111-T147 WeakPolarHBondContact O-CG2 3.29Å; Y145-T147 PolarHBondContact O-N 2.89Å; T147-A149 VanDerWaalsContact C-N 3.31Å; T147-A150 PolarHBondContact O-N 2.86Å; T147-A150 WeakPolarHBondContact OG1-CB 3.39Å; T147-A150 PolarHBondContact OG1-N 2.9Å; T147-F151 PolarHBondContact O-N 3.36Å; T147-F151 VanDerWaalsContact O-N 3.13Å
148	L	91.8	Very high	94.7	Very high	46 Å²	46	48.1 Å²	48.1	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-35.1	174.5	-176.2	65	0	0	0	111.7	A110 F123 Y126 F151 F152	A110-L148 HydrophobicContact CB-CB 4.44Å; A110-L148 PolarHBondContact O-N 2.74Å; A110-L148 VanDerWaalsContact O-N 3.1Å; F123-L148 HydrophobicContact CD1-CD1 4.37Å; F123-L148 HydrophobicContact CE1-CD1 4.27Å; Y126-L148 HydrophobicContact CD2-CD1 4.1Å; Y126-L148 HydrophobicContact CE2-CD1 4.46Å; Y126-L148 HydrophobicContact CG-CD1 4.44Å; L148-F151 HydrophobicContact CD1-CD1 4.23Å; L148-F151 PolarHBondContact O-N 2.97Å; L148-F152 WeakPolarHBondContact O-CB 3.48Å; L148-F152 PolarHBondContact O-N 2.95Å
149	A	90.9	Very high	94.5	Very high	8 Å²	8	47.7 Å²	47.7	7%	0.066	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-45.3	174	0	0	0	0	0	111.4	A110 T147 F151 F152 N153	A110-A149 HydrophobicContact CB-CB 4.14Å; A110-A149 WeakPolarHBondContact O-CB 3.12Å; A110-A149 PolarHBondContact O-N 3.41Å; T147-A149 VanDerWaalsContact C-N 3.31Å; A149-F151 VanDerWaalsContact C-N 3.33Å; A149-F151 PolarHBondContact O-N 2.84Å; A149-F152 PolarHBondContact O-N 2.83Å; A149-N153 WeakPolarHBondContact O-CB 3.29Å; A149-N153 PolarHBondContact O-N 3.08Å; A149-N153 PolarHBondContact O-OD1 2.78Å
150	A	92.9	Very high	94.4	Very high	33 Å²	33	46.5 Å²	46.5	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-38.5	177.3	0	0	0	0	0	112.6	Y145 P146 T147 R154	Y145-A150 HydrophobicContact CD1-CB 4.47Å; Y145-A150 WeakPolarHBondContact CD1-O 3.38Å; P146-A150 HydrophobicContact CG-CB 4.11Å; T147-A150 PolarHBondContact O-N 2.86Å; T147-A150 WeakPolarHBondContact OG1-CB 3.39Å; T147-A150 PolarHBondContact OG1-N 2.9Å; A150-R154 PolarHBondContact O-N 2.73Å
151	F	94.2	Very high	94.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-65.4	-41.7	173.2	171.1	-93	0	0	0	112.1	F123 Y126 I127 C132 M134 L142 Y145 T147 L148 A149 R154	F123-F151 HydrophobicContact CB-CD2 4.14Å; F123-F151 HydrophobicContact CB-CE2 4.04Å; F123-F151 HydrophobicContact CD1-CB 3.91Å; F123-F151 HydrophobicContact CD1-CD1 4.11Å; F123-F151 AromaticContact CD1-CD2 3.92Å; F123-F151 HydrophobicContact CD1-CD2 3.92Å; F123-F151 AromaticContact CD1-CG 3.68Å; F123-F151 HydrophobicContact CD1-CG 3.68Å; F123-F151 HydrophobicContact CD2-CD2 4.3Å; F123-F151 HydrophobicContact CE1-CB 3.62Å; F123-F151 HydrophobicContact CE1-CD2 4.43Å; F123-F151 AromaticContact CE1-CG 3.95Å; F123-F151 HydrophobicContact CE1-CG 3.95Å; F123-F151 AromaticContact CG-CD2 3.87Å; F123-F151 HydrophobicContact CG-CD2 3.87Å; F123-F151 HydrophobicContact CG-CE2 4.29Å; F123-F151 HydrophobicContact CG-CG 4.13Å; F123-F151 HydrophobicContact CZ-CB 4Å; Y126-F151 HydrophobicContact CD1-CD1 4.43Å; Y126-F151 AromaticContact CD1-CE1 3.61Å; Y126-F151 HydrophobicContact CD1-CE1 3.61Å; Y126-F151 HydrophobicContact CD1-CZ 4.45Å; Y126-F151 HydrophobicContact CE1-CE1 4.1Å; Y126-F151 HydrophobicContact CG-CE1 4.33Å; I127-F151 HydrophobicContact CD1-CE2 4.21Å; I127-F151 HydrophobicContact CD1-CZ 4.14Å; I127-F151 HydrophobicContact CG1-CE2 4.29Å; I127-F151 HydrophobicContact CG1-CZ 3.71Å; C132-F151 HydrophobicContact CB-CZ 4.36Å; M134-F151 HydrophobicContact CE-CE2 3.92Å; M134-F151 HydrophobicContact SD-CD2 4.41Å; M134-F151 HydrophobicContact SD-CE2 3.41Å; M134-F151 WeakPolarHBondContact SD-CE2 3.18Å; M134-F151 HydrophobicContact SD-CZ 3.77Å; L142-F151 HydrophobicContact CD2-CD2 4.48Å; L142-F151 HydrophobicContact CD2-CE2 4Å; Y145-F151 HydrophobicContact CD1-CB 4.36Å; Y145-F151 HydrophobicContact CD2-CD2 4.02Å; Y145-F151 HydrophobicContact CE2-CD2 4.27Å; Y145-F151 HydrophobicContact CG-CB 4.11Å; Y145-F151 HydrophobicContact CG-CD2 4.34Å; T147-F151 PolarHBondContact O-N 3.36Å; T147-F151 VanDerWaalsContact O-N 3.13Å; L148-F151 HydrophobicContact CD1-CD1 4.23Å; L148-F151 PolarHBondContact O-N 2.97Å; A149-F151 VanDerWaalsContact C-N 3.33Å; A149-F151 PolarHBondContact O-N 2.84Å; F151-R154 WeakPolarHBondContact O-CB 3.29Å; F151-R154 WeakPolarHBondContact O-CD 3.4Å; F151-R154 WeakPolarHBondContact O-CG 3.3Å; F151-R154 PolarHBondContact O-N 3.28Å; F151-R154 PolarHBondContact O-NH1 2.99Å
152	F	91.3	Very high	94.3	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.018	26%	0.259	C	S	.	.	H	α-helix	trans	-68.4	-42.6	-178.5	-173.3	-94.7	0	0	0	112.3	Y126 L148 A149 R154 P224 H228 L336	Y126-F152 WeakPolarHBondContact OH-CE2 3.48Å; L148-F152 WeakPolarHBondContact O-CB 3.48Å; L148-F152 PolarHBondContact O-N 2.95Å; A149-F152 PolarHBondContact O-N 2.83Å; F152-R154 VanDerWaalsContact C-N 3.26Å; F152-R154 PolarHBondContact O-N 3.4Å; F152-P224 WeakPolarHBondContact CE2-O 3.38Å; F152-H228 HydrophobicContact CD1-CB 4.17Å; F152-H228 HydrophobicContact CE1-CB 3.4Å; F152-H228 VanDerWaalsContact CE1-CB 3.4Å; F152-H228 AromaticContact CE1-CD2 3.62Å; F152-H228 AromaticContact CE1-CG 3.25Å; F152-H228 AromaticContact CE1-ND1 3.61Å; F152-H228 AromaticContact CE2-CE1 3.53Å; F152-H228 AromaticContact CE2-ND1 3.61Å; F152-H228 AromaticContact CE2-NE2 3.97Å; F152-H228 HydrophobicContact CZ-CB 3.89Å; F152-H228 AromaticContact CZ-CD2 3.25Å; F152-H228 WeakPolarHBondContact CZ-CD2 3.43Å; F152-H228 AromaticContact CZ-CE1 3.19Å; F152-H228 WeakPolarHBondContact CZ-CE1 3.29Å; F152-H228 AromaticContact CZ-CG 3.16Å; F152-H228 AromaticContact CZ-ND1 3.14Å; F152-H228 WeakPolarHBondContact CZ-ND1 3.42Å; F152-H228 AromaticContact CZ-NE2 3.26Å; F152-H228 VanDerWaalsContact CZ-NE2 3.26Å; F152-H228 WeakPolarHBondContact CZ-NE2 3.18Å; F152-L336 HydrophobicContact CD2-CD2 4.02Å; F152-L336 HydrophobicContact CE1-CB 4.47Å; F152-L336 HydrophobicContact CE1-CD2 4.42Å; F152-L336 HydrophobicContact CE1-CG 4.35Å; F152-L336 HydrophobicContact CE2-CD2 3.71Å; F152-L336 HydrophobicContact CE2-CG 4.48Å; F152-L336 HydrophobicContact CG-CD2 4.47Å; F152-L336 VanDerWaalsContact CZ-CA 3.42Å; F152-L336 HydrophobicContact CZ-CB 4.39Å; F152-L336 HydrophobicContact CZ-CD2 3.89Å; F152-L336 HydrophobicContact CZ-CG 4.26Å
153	N	91.8	Very high	94.3	Very high	23 Å²	23	45 Å²	45	12%	0.123	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	25.5	177.9	-65.9	99.3	0	0	0	112.8	A149 S155 E333 F334	A149-N153 WeakPolarHBondContact O-CB 3.29Å; A149-N153 PolarHBondContact O-N 3.08Å; A149-N153 PolarHBondContact O-OD1 2.78Å; N153-S155 PolarHBondContact O-N 2.84Å; N153-E333 PolarHBondContact ND2-OE1 3.5Å; N153-F334 PolarHBondContact ND2-O 3.42Å
154	R	94.2	Very high	94.2	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.026	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-58	138.6	178.6	67.6	-169.7	-176.1	-72.5	-2.2	111.5	R133 M134 A137 Y145 A150 F151 F152 Y227	R133-R154 PolarHBondContact O-NH2 2.87Å; M134-R154 PolarHBondContact SD-NE 3.13Å; A137-R154 HydrophobicContact CB-CG 4.44Å; Y145-R154 HydrophobicContact CE1-CB 3.66Å; Y145-R154 WeakPolarHBondContact OH-CB 3.39Å; A150-R154 PolarHBondContact O-N 2.73Å; F151-R154 WeakPolarHBondContact O-CB 3.29Å; F151-R154 WeakPolarHBondContact O-CD 3.4Å; F151-R154 WeakPolarHBondContact O-CG 3.3Å; F151-R154 PolarHBondContact O-N 3.28Å; F151-R154 PolarHBondContact O-NH1 2.99Å; F152-R154 VanDerWaalsContact C-N 3.26Å; F152-R154 PolarHBondContact O-N 3.4Å; R154-Y227 WeakPolarHBondContact O-CE2 3.43Å
155	S	94.4	Very high	94.1	Very high	62 Å²	62	47.9 Å²	47.9	43%	0.434	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-67.1	152.1	167.8	-59.5	0	0	0	0	111.3	E138 N153	E138-S155 PolarHBondContact N-O 2.93Å; E138-S155 WeakPolarHBondContact OE2-CB 3.49Å; N153-S155 PolarHBondContact O-N 2.84Å
156	L	96.2	Very high	94	Very high	18 Å²	18	48 Å²	48	9%	0.094	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-103.7	154.3	174	-57.7	-171.4	0	0	0	110.8	E136 S158 V160 R161 Y227 Y362	E136-L156 HydrophobicContact CB-CD2 4.46Å; E136-L156 HydrophobicContact CG-CD2 3.98Å; E136-L156 WeakPolarHBondContact O-CA 3.23Å; L156-S158 PolarHBondContact O-N 2.77Å; L156-V160 HydrophobicContact CB-CG2 4.16Å; L156-R161 HydrophobicContact CD1-CG 4Å; L156-Y227 HydrophobicContact CD1-CD1 4Å; L156-Y227 HydrophobicContact CD1-CD2 4.03Å; L156-Y227 HydrophobicContact CD1-CG 3.71Å; L156-Y227 HydrophobicContact CD2-CD2 4.14Å; L156-Y227 HydrophobicContact CD2-CG 4.46Å; L156-Y227 HydrophobicContact CG-CD2 3.78Å; L156-Y227 HydrophobicContact CG-CE2 4.13Å; L156-Y227 HydrophobicContact CG-CG 4.01Å; L156-Y362 HydrophobicContact CD1-CE1 4.03Å
157	K	96.3	Very high	94	Very high	64 Å²	64	48.3 Å²	48.3	28%	0.278	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-59.4	135.2	170.6	-64	169.1	-179.6	167.2	0	109.7	D135 E136 A137 E140 T159 V160	D135-K157 PolarHBondContact O-NZ 3.31Å; E136-K157 PolarHBondContact O-N 3.08Å; A137-K157 WeakPolarHBondContact O-CE 3.29Å; A137-K157 WeakPolarHBondContact O-CG 3.42Å; E140-K157 IonicContact OE1-NZ 3.73Å; E140-K157 PolarHBondContact OE1-NZ 2.8Å; K157-T159 PolarHBondContact O-N 2.81Å; K157-T159 VanDerWaalsContact O-N 3.09Å; K157-V160 HydrophobicContact CB-CG1 3.97Å; K157-V160 HydrophobicContact CB-CG2 4.17Å; K157-V160 HydrophobicContact CD-CG1 4.28Å; K157-V160 WeakPolarHBondContact O-CG2 3.29Å; K157-V160 PolarHBondContact O-N 2.82Å
158	S	89.5	Confident	94.1	Very high	113 Å²	113	47.4 Å²	47.4	79%	0.79	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-59.9	-25	-179.1	56.4	0	0	0	0	114	L156	L156-S158 PolarHBondContact O-N 2.77Å
159	T	92.5	Very high	94.4	Very high	116 Å²	116	45.2 Å²	45.2	71%	0.712	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-82.7	-15	-177.8	56.5	0	0	0	0	114.7	K157	K157-T159 PolarHBondContact O-N 2.81Å; K157-T159 VanDerWaalsContact O-N 3.09Å
160	V	95.4	Very high	94.7	Very high	39 Å²	39	44.9 Å²	44.9	24%	0.236	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-90.5	-1.7	-172.6	-60	0	0	0	0	114	E136 L156 K157	E136-V160 HydrophobicContact CB-CB 4.33Å; E136-V160 HydrophobicContact CB-CG1 4.42Å; E136-V160 HydrophobicContact CB-CG2 3.9Å; L156-V160 HydrophobicContact CB-CG2 4.16Å; K157-V160 HydrophobicContact CB-CG1 3.97Å; K157-V160 HydrophobicContact CB-CG2 4.17Å; K157-V160 HydrophobicContact CD-CG1 4.28Å; K157-V160 WeakPolarHBondContact O-CG2 3.29Å; K157-V160 PolarHBondContact O-N 2.82Å
161	R	94.4	Very high	95	Very high	11 Å²	11	43.3 Å²	43.3	4%	0.042	26%	0.255	C	S	.	.			trans	-136.8	64	-175.2	-66.4	-70.2	-171.1	-70.8	-4.7	111.1	E136 L156 D173 Y362	E136-R161 IonicContact OE1-CZ 2.77Å; E136-R161 IonicContact OE1-NH2 3.32Å; E136-R161 PolarHBondContact OE1-NH2 2.8Å; E136-R161 IonicContact OE2-CZ 2.86Å; E136-R161 VanDerWaalsContact OE2-CZ 3.24Å; E136-R161 IonicContact OE2-NH1 3.92Å; E136-R161 PolarHBondContact OE2-NH1 3.3Å; E136-R161 IonicContact OE2-NH2 3.86Å; E136-R161 PolarHBondContact OE2-NH2 2.66Å; L156-R161 HydrophobicContact CD1-CG 4Å; R161-D173 IonicContact CZ-OD2 3.8Å; R161-D173 IonicContact NE-OD1 3.41Å; R161-D173 PolarHBondContact NE-OD1 3.27Å; R161-D173 IonicContact NE-OD2 3.24Å; R161-D173 IonicContact NH2-OD1 3.55Å; R161-D173 IonicContact NH2-OD2 2.91Å; R161-D173 PolarHBondContact NH2-OD2 3.11Å; R161-Y362 HydrophobicContact CB-CD2 4.39Å; R161-Y362 HydrophobicContact CB-CE1 3.88Å; R161-Y362 HydrophobicContact CB-CE2 3.6Å; R161-Y362 WeakPolarHBondContact CB-OH 3.31Å; R161-Y362 HydrophobicContact CG-CD1 4.13Å; R161-Y362 HydrophobicContact CG-CE1 3.41Å; R161-Y362 VanDerWaalsContact CG-CE1 3.41Å; R161-Y362 HydrophobicContact CG-CE2 4.12Å; R161-Y362 WeakPolarHBondContact CG-OH 3.39Å
162	P	95.6	Very high	95.1	Very high	102 Å²	102	43.3 Å²	43.3	66%	0.662	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-62.5	138.2	173.7	28.6	-34.6	0	0	0	110.2
163	I	96.8	Very high	95.4	Very high	68 Å²	68	43.2 Å²	43.2	35%	0.349	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-87.1	126	176.6	-51.2	-54.9	0	0	0	108.6	V169 P327 Y362	I163-V169 HydrophobicContact CG2-CG1 4.23Å; I163-V169 HydrophobicContact CG2-CG2 4.25Å; I163-P327 HydrophobicContact CG2-CB 3.85Å; I163-Y362 HydrophobicContact CD1-CD2 4.17Å; I163-Y362 HydrophobicContact CD1-CE2 4.13Å
164	S	95.7	Very high	95.5	Very high	38 Å²	38	42.1 Å²	42.1	27%	0.266	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-66	142.8	176.8	178.4	0	0	0	0	111.3	V166 G363 S365	S164-V166 PolarHBondContact O-N 3.01Å; S164-G363 VanDerWaalsContact CB-O 3.29Å; S164-G363 WeakPolarHBondContact CB-O 3.29Å; S164-G363 PolarHBondContact N-O 3.47Å; S164-S365 WeakPolarHBondContact CB-OG 3.45Å; S164-S365 PolarHBondContact OG-OG 3.04Å
165	D	94.4	Very high	95.6	Very high	170 Å²	170	43.3 Å²	43.3	91%	0.909	26%	0.257	S	S	*	.	S	Bend	trans	-79.3	59	175.8	-167.8	31.8	0	0	0	111.7
166	V	95.3	Very high	95.6	Very high	21 Å²	21	40.4 Å²	40.4	13%	0.127	24%	0.236	C	C	.	.	S	Bend	trans	-129.5	157.2	172.2	-63.8	0	0	0	0	109.5	S164 L168 V169 I367	S164-V166 PolarHBondContact O-N 3.01Å; V166-L168 VanDerWaalsContact CG2-O 3.29Å; V166-L168 WeakPolarHBondContact CG2-O 3.26Å; V166-L168 PolarHBondContact O-N 2.97Å; V166-V169 HydrophobicContact CG2-CG1 3.69Å; V166-I367 HydrophobicContact CB-CD1 4.49Å; V166-I367 HydrophobicContact CB-CG1 4.15Å; V166-I367 HydrophobicContact CG2-CG1 4.29Å
167	D	95	Very high	95.5	Very high	53 Å²	53	41 Å²	41	28%	0.283	24%	0.24	S	C	.	.	S	Bend	trans	-64.9	-21.5	-177.4	-75.5	-28.3	0	0	0	113.4	A234 W275 K276 H277 I367	D167-A234 VanDerWaalsContact O-CB 3.32Å; D167-A234 WeakPolarHBondContact O-CB 2.73Å; D167-W275 HydrophobicContact CB-CZ3 4.43Å; D167-K276 IonicContact OD1-NZ 2.78Å; D167-K276 IonicContact OD2-NZ 3.27Å; D167-K276 PolarHBondContact OD2-NZ 3.27Å; D167-H277 IonicContact OD2-NE2 3.94Å; D167-I367 HydrophobicContact CB-CD1 4.16Å
168	L	97.7	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.234	C	C	.	.			trans	-139.8	116.8	-178.5	-169.8	71.5	0	0	0	112.4	V166 P233 A234 W275 F280 F344 L366 I367	V166-L168 VanDerWaalsContact CG2-O 3.29Å; V166-L168 WeakPolarHBondContact CG2-O 3.26Å; V166-L168 PolarHBondContact O-N 2.97Å; L168-P233 CarbonylContact C-O 3.43Å; L168-P233 WeakPolarHBondContact CA-O 3.42Å; L168-P233 HydrophobicContact CD1-CB 3.99Å; L168-P233 HydrophobicContact CD1-CG 4.44Å; L168-A234 HydrophobicContact CD1-CB 4.05Å; L168-W275 HydrophobicContact CB-CZ3 4.36Å; L168-W275 HydrophobicContact CD1-CZ3 4.36Å; L168-F280 HydrophobicContact CD1-CE2 3.76Å; L168-F280 HydrophobicContact CD1-CZ 4.03Å; L168-F344 HydrophobicContact CD2-CD1 4.43Å; L168-F344 HydrophobicContact CD2-CD2 4.45Å; L168-F344 HydrophobicContact CD2-CE1 3.69Å; L168-F344 HydrophobicContact CD2-CE2 3.71Å; L168-F344 HydrophobicContact CD2-CZ 3.27Å; L168-L366 HydrophobicContact CD2-CB 4.29Å; L168-L366 HydrophobicContact CD2-CD1 4.31Å; L168-L366 HydrophobicContact CG-CB 4.29Å; L168-L366 HydrophobicContact CG-CD1 4.14Å; L168-L366 PolarHBondContact O-N 3.24Å; L168-I367 HydrophobicContact CB-CD1 3.84Å; L168-I367 HydrophobicContact CB-CG1 4.08Å; L168-I367 HydrophobicContact CB-CG2 4.36Å; L168-I367 HydrophobicContact CD2-CG2 4.21Å
169	V	97.8	Very high	95.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-116.3	165	179.9	-58.9	0	0	0	0	112.2	I163 V166 P233 P327 Q364 L366	I163-V169 HydrophobicContact CG2-CG1 4.23Å; I163-V169 HydrophobicContact CG2-CG2 4.25Å; V166-V169 HydrophobicContact CG2-CG1 3.69Å; V169-P233 VanDerWaalsContact CG2-O 3.31Å; V169-P233 WeakPolarHBondContact CG2-O 3.1Å; V169-P233 PolarHBondContact N-O 3.45Å; V169-P233 WeakPolarHBondContact O-CA 3.49Å; V169-P233 WeakPolarHBondContact O-CB 3.22Å; V169-P327 HydrophobicContact CG2-CB 4.3Å; V169-Q364 CarbonylContact C-O 3.58Å; V169-Q364 VanDerWaalsContact CA-O 3.25Å; V169-Q364 WeakPolarHBondContact CA-O 3.31Å; V169-Q364 WeakPolarHBondContact CB-O 3.41Å; V169-L366 VanDerWaalsContact O-CD1 3.29Å; V169-L366 WeakPolarHBondContact O-CD1 3.48Å
170	S	98.3	Very high	95.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	18%	0.183	C	C	.	.			trans	-65.6	128.6	177.2	-174.8	0	0	0	0	109.7	A172 R361 Y362 G363 Q364	S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact OG-O 3.45Å; S170-R361 WeakPolarHBondContact CB-O 3.16Å; S170-Y362 CarbonylContact O-C 3.57Å; S170-Y362 VanDerWaalsContact O-CA 3.22Å; S170-Y362 WeakPolarHBondContact O-CA 3.46Å; S170-G363 PolarHBondContact O-N 3.01Å; S170-Q364 PolarHBondContact N-O 3.24Å
171	P	98.1	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-76.5	-17.3	177.1	31.7	-37.4	0	0	0	112.7	L220 F230 H231 P233 M282 V340 L342	P171-L220 VanDerWaalsContact CD-CD1 3.45Å; P171-L220 HydrophobicContact CG-CD1 3.66Å; P171-F230 CarbonylContact O-C 3.47Å; P171-F230 WeakPolarHBondContact O-CA 3.38Å; P171-H231 VanDerWaalsContact CA-O 3.24Å; P171-H231 WeakPolarHBondContact CA-O 3.22Å; P171-H231 WeakPolarHBondContact CB-O 2.95Å; P171-H231 PolarHBondContact O-N 3.13Å; P171-P233 HydrophobicContact CB-CB 4.15Å; P171-P233 HydrophobicContact CB-CG 4.49Å; P171-M282 HydrophobicContact CB-SD 4.19Å; P171-V340 HydrophobicContact CB-CG1 4.25Å; P171-V340 HydrophobicContact CG-CG1 3.72Å; P171-L342 HydrophobicContact CG-CD1 4.03Å; P171-L342 HydrophobicContact CG-CD2 4.13Å; P171-L342 HydrophobicContact CG-CG 4.21Å
172	A	97	Very high	95.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-149	162.8	-170.6	0	0	0	0	0	112.5	S170 L222 F230 V340 R361 Y362	S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact OG-O 3.45Å; A172-L222 HydrophobicContact CB-CD1 3.94Å; A172-L222 HydrophobicContact CB-CD2 3.95Å; A172-L222 HydrophobicContact CB-CG 4.07Å; A172-F230 HydrophobicContact CB-CB 4.44Å; A172-V340 HydrophobicContact CB-CG2 4.3Å; A172-R361 CarbonylContact O-C 3.53Å; A172-Y362 PolarHBondContact O-N 3.27Å
173	D	96.2	Very high	95	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.183	C	C	.	.	S	Bend	trans	-80.7	116.9	164.6	-79.4	38.7	0	0	0	109.3	R133 R161 L222 N226 L360 R361 Y362	R133-D173 IonicContact NH2-OD2 3.05Å; R161-D173 IonicContact CZ-OD2 3.8Å; R161-D173 IonicContact NE-OD1 3.41Å; R161-D173 PolarHBondContact NE-OD1 3.27Å; R161-D173 IonicContact NE-OD2 3.24Å; R161-D173 IonicContact NH2-OD1 3.55Å; R161-D173 IonicContact NH2-OD2 2.91Å; R161-D173 PolarHBondContact NH2-OD2 3.11Å; D173-L222 WeakPolarHBondContact O-CG 3.37Å; D173-N226 HydrophobicContact CB-CB 3.97Å; D173-N226 WeakPolarHBondContact O-CB 3.32Å; D173-L360 CarbonylContact C-O 3.56Å; D173-L360 VanDerWaalsContact CA-O 3.29Å; D173-L360 WeakPolarHBondContact CA-O 3.13Å; D173-R361 WeakPolarHBondContact OD1-CA 3.44Å; D173-Y362 WeakPolarHBondContact OD1-CD1 3.39Å; D173-Y362 PolarHBondContact OD1-N 3.11Å
174	G	95.5	Very high	94.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.9	-171.7	-175.9	0	0	0	0	0	114.2	Y221 N359 L360	G174-Y221 CarbonylContact C-O 3.58Å; G174-Y221 WeakPolarHBondContact CA-O 3.29Å; G174-N359 WeakPolarHBondContact O-CA 3.29Å; G174-L360 PolarHBondContact N-O 2.8Å; G174-L360 PolarHBondContact O-N 2.83Å
175	V	95.2	Very high	93.8	Very high	31 Å²	31	39.1 Å²	39.1	19%	0.188	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130.6	178.5	-175.1	0	0	0	0	109.5	I177 L220 Y221 D358 N359	V175-I177 HydrophobicContact CB-CD1 4.4Å; V175-I177 HydrophobicContact CG1-CD1 4.34Å; V175-I177 PolarHBondContact O-N 2.8Å; V175-I177 VanDerWaalsContact O-N 3.14Å; V175-L220 WeakPolarHBondContact O-CA 3.22Å; V175-Y221 PolarHBondContact N-O 2.82Å; V175-Y221 PolarHBondContact O-N 3.49Å; V175-D358 WeakPolarHBondContact CA-O 3.45Å; V175-N359 WeakPolarHBondContact CG2-OD1 3.46Å
176	V	95.8	Very high	93.4	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	113.2	171.5	-177.6	0	0	0	0	108.6	Y179 L220 V354 R355 A356 G357 D358 L360	V176-Y179 HydrophobicContact CG1-CD1 3.98Å; V176-L220 HydrophobicContact CB-CD2 4.42Å; V176-L220 HydrophobicContact CG2-CD2 3.77Å; V176-V354 HydrophobicContact CG2-CB 4.29Å; V176-V354 HydrophobicContact CG2-CG2 4.48Å; V176-R355 WeakPolarHBondContact CB-O 3.4Å; V176-A356 CarbonylContact O-C 3.58Å; V176-A356 WeakPolarHBondContact O-CA 3.3Å; V176-G357 PolarHBondContact O-N 2.84Å; V176-D358 HydrophobicContact CG2-CB 4.24Å; V176-D358 PolarHBondContact N-O 2.89Å; V176-L360 HydrophobicContact CG2-CD1 3.5Å; V176-L360 HydrophobicContact CG2-CG 3.92Å
177	I	92.1	Very high	92.8	Very high	32 Å²	32	36 Å²	36	16%	0.164	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-47	177	-60.1	-46	0	0	0	110.3	V175 I219 Y221 P253 L256	V175-I177 HydrophobicContact CB-CD1 4.4Å; V175-I177 HydrophobicContact CG1-CD1 4.34Å; V175-I177 PolarHBondContact O-N 2.8Å; V175-I177 VanDerWaalsContact O-N 3.14Å; I177-I219 HydrophobicContact CB-CB 4.26Å; I177-I219 HydrophobicContact CB-CG2 3.99Å; I177-I219 HydrophobicContact CG1-CG2 4.41Å; I177-I219 PolarHBondContact N-O 3.44Å; I177-Y221 HydrophobicContact CD1-CG 4.45Å; I177-P253 HydrophobicContact CD1-CB 4.3Å; I177-P253 HydrophobicContact CD1-CG 3.41Å; I177-P253 VanDerWaalsContact CD1-CG 3.41Å; I177-P253 HydrophobicContact CG1-CG 4.46Å; I177-L256 HydrophobicContact CG2-CD1 3.69Å
178	H	92.6	Very high	92.2	Very high	33 Å²	33	35.7 Å²	35.7	15%	0.153	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	151.7	-177.9	-172.1	-105.3	0	0	0	109.8	E188 Q217 I219	H178-E188 PolarHBondContact CE1-O 2.87Å; H178-E188 VanDerWaalsContact CE1-O 3.25Å; H178-E188 IonicContact CE1-OE2 3.85Å; H178-E188 PolarHBondContact ND1-O 2.75Å; H178-E188 IonicContact NE2-OE2 2.77Å; H178-Q217 PolarHBondContact CE1-NE2 2.77Å; H178-Q217 PolarHBondContact ND1-NE2 2.73Å; H178-I219 HydrophobicContact CB-CB 4.4Å; H178-I219 HydrophobicContact CB-CD1 3.87Å; H178-I219 HydrophobicContact CB-CG1 4.32Å; H178-I219 PolarHBondContact O-N 3.39Å
179	Y	94.8	Very high	91.1	Very high	71 Å²	71	35.9 Å²	35.9	28%	0.278	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	153.8	173	71.2	-75.4	0	0	0	109.1	V176 Q217 F352 V354	V176-Y179 HydrophobicContact CG1-CD1 3.98Å; Y179-Q217 CarbonylContact C-O 3.54Å; Y179-Q217 VanDerWaalsContact CA-O 3.24Å; Y179-Q217 WeakPolarHBondContact CA-O 3.29Å; Y179-F352 HydrophobicContact CD2-CB 3.74Å; Y179-F352 AromaticContact CD2-CD1 3.86Å; Y179-F352 HydrophobicContact CD2-CD1 3.86Å; Y179-F352 AromaticContact CD2-CD2 3.53Å; Y179-F352 HydrophobicContact CD2-CD2 3.53Å; Y179-F352 HydrophobicContact CD2-CE1 4.32Å; Y179-F352 HydrophobicContact CD2-CE2 4.02Å; Y179-F352 AromaticContact CD2-CG 3.42Å; Y179-F352 HydrophobicContact CD2-CG 3.42Å; Y179-F352 VanDerWaalsContact CD2-CG 3.42Å; Y179-F352 HydrophobicContact CD2-CZ 4.38Å; Y179-F352 HydrophobicContact CE2-CB 3.65Å; Y179-F352 AromaticContact CE2-CD2 3.89Å; Y179-F352 HydrophobicContact CE2-CD2 3.89Å; Y179-F352 AromaticContact CE2-CG 3.82Å; Y179-F352 HydrophobicContact CE2-CG 3.82Å; Y179-V354 HydrophobicContact CD2-CG2 4.5Å; Y179-V354 WeakPolarHBondContact CE2-O 3.4Å; Y179-V354 HydrophobicContact CG-CG2 4.39Å; Y179-V354 PolarHBondContact OH-O 3.27Å
180	G	94.2	Very high	89.6	Confident	16 Å²	16	36.4 Å²	36.4	17%	0.165	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.5	-169	174.7	0	0	0	0	0	113.4	Y216 Q217	G180-Y216 CarbonylContact O-C 3.5Å; G180-Y216 WeakPolarHBondContact O-CA 3.29Å; G180-Q217 PolarHBondContact N-O 2.98Å; G180-Q217 WeakPolarHBondContact O-CG 3.35Å; G180-Q217 PolarHBondContact O-N 2.73Å
181	K	93.4	Very high	88.2	Confident	86 Å²	86	44.6 Å²	44.6	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	139.6	177.6	-177.3	-180	177.7	166.3	0	110.8	N183 E214 Y216	K181-N183 WeakPolarHBondContact CD-OD1 3.18Å; K181-E214 VanDerWaalsContact CD-OE2 3.22Å; K181-E214 WeakPolarHBondContact CD-OE2 3.29Å; K181-E214 VanDerWaalsContact CE-CD 3.43Å; K181-E214 WeakPolarHBondContact CE-OE2 3.4Å; K181-E214 IonicContact NZ-OE1 3.69Å; K181-E214 PolarHBondContact NZ-OE1 2.9Å; K181-E214 IonicContact NZ-OE2 3.06Å; K181-E214 PolarHBondContact NZ-OE2 3.39Å; K181-Y216 HydrophobicContact CB-CD1 4.27Å; K181-Y216 HydrophobicContact CB-CE1 4.18Å
182	V	91.8	Very high	86.8	Confident	9 Å²	9	47.6 Å²	47.6	6%	0.055	25%	0.246	C	C	.	.			trans	-84.5	116	168.6	-177.9	0	0	0	0	107.8	R186 I187 I197 L215 Q217	V182-R186 WeakPolarHBondContact CG1-O 3.07Å; V182-I187 HydrophobicContact CG1-CG1 4.39Å; V182-I197 HydrophobicContact CG1-CD1 4.48Å; V182-L215 HydrophobicContact CB-CB 4.08Å; V182-L215 HydrophobicContact CB-CD2 3.97Å; V182-L215 HydrophobicContact CB-CG 4.02Å; V182-L215 HydrophobicContact CG1-CD2 3.92Å; V182-L215 HydrophobicContact CG2-CD2 4.23Å; V182-L215 HydrophobicContact CG2-CG 4.06Å; V182-L215 PolarHBondContact N-O 2.78Å; V182-Q217 HydrophobicContact CG2-CB 3.92Å; V182-Q217 HydrophobicContact CG2-CG 3.83Å
183	N	87.6	Confident	85.6	Confident	94 Å²	94	50.1 Å²	50.1	50%	0.503	26%	0.257	S	S	.	.	B	Isolated β-bridge	trans	-99.1	134	-177.7	-65.5	-45.9	0	0	0	110.3	K181 G185 R186	K181-N183 WeakPolarHBondContact CD-OD1 3.18Å; N183-G185 PolarHBondContact O-N 2.93Å; N183-G185 VanDerWaalsContact O-N 3.08Å; N183-R186 WeakPolarHBondContact O-CA 3.19Å; N183-R186 WeakPolarHBondContact O-CB 3.34Å; N183-R186 PolarHBondContact O-N 3.02Å
184	E	84.2	Confident	84.6	Confident	176 Å²	176	54 Å²	54	82%	0.822	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	31.1	174.6	-55.7	-177.3	174.9	0	0	114.8	R186	E184-R186 PolarHBondContact O-N 3.39Å
185	G	82.7	Confident	83.9	Confident	25 Å²	25	54.2 Å²	54.2	26%	0.258	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	12.1	-176.1	0	0	0	0	0	113.9	N183 I197	N183-G185 PolarHBondContact O-N 2.93Å; N183-G185 VanDerWaalsContact O-N 3.08Å; G185-I197 VanDerWaalsContact O-CB 3.29Å; G185-I197 WeakPolarHBondContact O-CB 3.48Å; G185-I197 VanDerWaalsContact O-CG2 3.26Å; G185-I197 WeakPolarHBondContact O-CG2 3.4Å; G185-I197 PolarHBondContact O-N 2.99Å
186	R	85.7	Confident	83.5	Confident	126 Å²	126	56.4 Å²	56.4	48%	0.475	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.1	178.5	-59.5	-175	-162	-103.5	0.4	111.8	V182 N183 E184 D194 Y195	V182-R186 WeakPolarHBondContact CG1-O 3.07Å; N183-R186 WeakPolarHBondContact O-CA 3.19Å; N183-R186 WeakPolarHBondContact O-CB 3.34Å; N183-R186 PolarHBondContact O-N 3.02Å; E184-R186 PolarHBondContact O-N 3.39Å; R186-D194 HydrophobicContact CB-CB 4.01Å; R186-D194 HydrophobicContact CG-CB 4.47Å; R186-Y195 CarbonylContact C-O 3.54Å; R186-Y195 WeakPolarHBondContact CA-O 3.42Å
187	I	84	Confident	83.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.5	174.7	-49.2	165	0	0	0	108.6	V182 F189 D194 Y195 I197 F200 I343	V182-I187 HydrophobicContact CG1-CG1 4.39Å; I187-F189 HydrophobicContact CB-CE1 4.11Å; I187-F189 HydrophobicContact CB-CZ 4.24Å; I187-F189 HydrophobicContact CD1-CE1 4.36Å; I187-F189 HydrophobicContact CD1-CZ 4.12Å; I187-F189 HydrophobicContact CG2-CD1 3.58Å; I187-F189 HydrophobicContact CG2-CE1 3.28Å; I187-F189 HydrophobicContact CG2-CZ 3.9Å; I187-D194 WeakPolarHBondContact O-CA 3.44Å; I187-Y195 PolarHBondContact N-O 3.2Å; I187-Y195 VanDerWaalsContact O-CD2 3.27Å; I187-Y195 WeakPolarHBondContact O-CD2 3.24Å; I187-Y195 PolarHBondContact O-N 2.98Å; I187-I197 HydrophobicContact CD1-CB 4.01Å; I187-I197 HydrophobicContact CD1-CD1 4.07Å; I187-I197 HydrophobicContact CD1-CG1 3.89Å; I187-I197 HydrophobicContact CG1-CB 4Å; I187-I197 HydrophobicContact CG1-CD1 3.97Å; I187-I197 HydrophobicContact CG1-CG1 4.15Å; I187-F200 HydrophobicContact CD1-CB 3.74Å; I187-F200 HydrophobicContact CD1-CD1 3.89Å; I187-F200 HydrophobicContact CD1-CG 4.12Å; I187-I343 HydrophobicContact CD1-CD1 3.38Å; I187-I343 HydrophobicContact CG1-CD1 4.02Å; I187-I343 HydrophobicContact CG2-CD1 4.42Å
188	E	81.9	Confident	83.1	Confident	47 Å²	47	57.5 Å²	57.5	22%	0.22	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	105.2	173.3	-174	175.2	-160	0	0	108.5	H178 V190 K191 G192 H193 Q217	H178-E188 PolarHBondContact CE1-O 2.87Å; H178-E188 VanDerWaalsContact CE1-O 3.25Å; H178-E188 IonicContact CE1-OE2 3.85Å; H178-E188 PolarHBondContact ND1-O 2.75Å; H178-E188 IonicContact NE2-OE2 2.77Å; E188-V190 WeakPolarHBondContact CG-O 3.31Å; E188-K191 WeakPolarHBondContact OE1-CA 3.41Å; E188-G192 PolarHBondContact OE1-N 3.06Å; E188-H193 WeakPolarHBondContact CA-O 3.36Å; E188-Q217 VanDerWaalsContact N-NE2 3.15Å; E188-Q217 PolarHBondContact O-NE2 3.32Å; E188-Q217 PolarHBondContact O-OE1 2.81Å
189	F	74.8	Confident	82.8	Confident	3 Å²	3	59.8 Å²	59.8	1%	0.013	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-28.6	177.2	-60.9	-44.1	0	0	0	113.1	I187 Y195 F200 I219 F263 V341	I187-F189 HydrophobicContact CB-CE1 4.11Å; I187-F189 HydrophobicContact CB-CZ 4.24Å; I187-F189 HydrophobicContact CD1-CE1 4.36Å; I187-F189 HydrophobicContact CD1-CZ 4.12Å; I187-F189 HydrophobicContact CG2-CD1 3.58Å; I187-F189 HydrophobicContact CG2-CE1 3.28Å; I187-F189 HydrophobicContact CG2-CZ 3.9Å; F189-Y195 HydrophobicContact CB-CD2 4.33Å; F189-Y195 HydrophobicContact CB-CE2 3.89Å; F189-Y195 AromaticContact CD2-CD2 3.06Å; F189-Y195 HydrophobicContact CD2-CD2 3.06Å; F189-Y195 AromaticContact CD2-CE2 3.16Å; F189-Y195 HydrophobicContact CD2-CE2 3.16Å; F189-Y195 HydrophobicContact CD2-CG 4.09Å; F189-Y195 AromaticContact CE2-CD2 3.35Å; F189-Y195 HydrophobicContact CE2-CD2 3.35Å; F189-Y195 AromaticContact CE2-CE2 3.91Å; F189-Y195 HydrophobicContact CE2-CE2 3.91Å; F189-Y195 AromaticContact CE2-CG 3.99Å; F189-Y195 HydrophobicContact CE2-CG 3.99Å; F189-Y195 AromaticContact CG-CD2 3.8Å; F189-Y195 HydrophobicContact CG-CD2 3.8Å; F189-Y195 AromaticContact CG-CE2 3.81Å; F189-Y195 HydrophobicContact CG-CE2 3.81Å; F189-Y195 HydrophobicContact CZ-CD2 4.35Å; F189-F200 HydrophobicContact CE1-CD1 4.44Å; F189-F200 HydrophobicContact CE1-CD2 4.48Å; F189-F200 HydrophobicContact CE1-CE1 4.45Å; F189-F200 HydrophobicContact CE1-CE2 4.49Å; F189-F200 HydrophobicContact CE1-CG 4.46Å; F189-F200 HydrophobicContact CE1-CZ 4.48Å; F189-F200 HydrophobicContact CE2-CD2 4.09Å; F189-F200 HydrophobicContact CE2-CG 4.43Å; F189-F200 HydrophobicContact CZ-CB 4.11Å; F189-F200 AromaticContact CZ-CD1 3.99Å; F189-F200 HydrophobicContact CZ-CD1 3.99Å; F189-F200 AromaticContact CZ-CD2 3.52Å; F189-F200 HydrophobicContact CZ-CD2 3.52Å; F189-F200 HydrophobicContact CZ-CE1 4.3Å; F189-F200 AromaticContact CZ-CE2 3.87Å; F189-F200 HydrophobicContact CZ-CE2 3.87Å; F189-F200 AromaticContact CZ-CG 3.59Å; F189-F200 HydrophobicContact CZ-CG 3.59Å; F189-F200 HydrophobicContact CZ-CZ 4.24Å; F189-I219 VanDerWaalsContact CA-CD1 3.46Å; F189-I219 HydrophobicContact CB-CD1 3.9Å; F189-I219 HydrophobicContact CD1-CD1 3.45Å; F189-I219 VanDerWaalsContact CD1-CD1 3.45Å; F189-I219 HydrophobicContact CD1-CG1 4.46Å; F189-I219 HydrophobicContact CE1-CD1 4.42Å; F189-I219 HydrophobicContact CG-CD1 4.13Å; F189-F263 HydrophobicContact CB-CD2 3.71Å; F189-F263 HydrophobicContact CB-CE2 3.66Å; F189-F263 AromaticContact CD1-CD2 3.59Å; F189-F263 HydrophobicContact CD1-CD2 3.59Å; F189-F263 HydrophobicContact CD1-CE2 4.03Å; F189-F263 HydrophobicContact CD2-CB 3.95Å; F189-F263 AromaticContact CD2-CD2 3.46Å; F189-F263 HydrophobicContact CD2-CD2 3.46Å; F189-F263 VanDerWaalsContact CD2-CD2 3.46Å; F189-F263 HydrophobicContact CD2-CE2 4.3Å; F189-F263 HydrophobicContact CD2-CG 4.05Å; F189-F263 AromaticContact CE1-CD2 3.95Å; F189-F263 HydrophobicContact CE1-CD2 3.95Å; F189-F263 HydrophobicContact CE2-CB 3.79Å; F189-F263 AromaticContact CE2-CD2 3.95Å; F189-F263 HydrophobicContact CE2-CD2 3.95Å; F189-F263 HydrophobicContact CE2-CG 4.34Å; F189-F263 AromaticContact CG-CD2 3.31Å; F189-F263 HydrophobicContact CG-CD2 3.31Å; F189-F263 AromaticContact CG-CE2 3.77Å; F189-F263 HydrophobicContact CG-CE2 3.77Å; F189-F263 HydrophobicContact CG-CG 4.32Å; F189-F263 HydrophobicContact CZ-CB 4.22Å; F189-F263 HydrophobicContact CZ-CD2 4.16Å; F189-V341 HydrophobicContact CE1-CG1 4.22Å
190	V	66.6	Low	82.7	Confident	11 Å²	11	56.4 Å²	56.4	7%	0.067	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	137.4	-178.1	-176.7	0	0	0	0	105.7	E188 G192 H193 L256 H257	E188-V190 WeakPolarHBondContact CG-O 3.31Å; V190-G192 PolarHBondContact O-N 3.49Å; V190-G192 VanDerWaalsContact O-N 3.1Å; V190-H193 HydrophobicContact CB-CB 4.45Å; V190-H193 PolarHBondContact O-N 3.12Å; V190-L256 HydrophobicContact CG2-CB 3.54Å; V190-L256 HydrophobicContact CG2-CD1 4.22Å; V190-L256 HydrophobicContact CG2-CG 4.43Å; V190-H257 HydrophobicContact CG1-CB 4.49Å; V190-H257 WeakPolarHBondContact CG1-CE1 3.43Å; V190-H257 WeakPolarHBondContact CG1-ND1 3.29Å
191	K	68.7	Low	82.7	Confident	174 Å²	174	55.7 Å²	55.7	76%	0.757	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	122.2	-176.5	-169.4	173.5	-178.8	175.5	0	111.8	E188	E188-K191 WeakPolarHBondContact OE1-CA 3.41Å
192	G	69.1	Low	82.5	Confident	63 Å²	63	51.9 Å²	51.9	65%	0.649	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	7.9	-179.8	0	0	0	0	0	116.1	E188 V190	E188-G192 PolarHBondContact OE1-N 3.06Å; V190-G192 PolarHBondContact O-N 3.49Å; V190-G192 VanDerWaalsContact O-N 3.1Å
193	H	70.6	Confident	82.2	Confident	53 Å²	53	56.4 Å²	56.4	25%	0.245	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	107.6	173.1	-64.7	-83.2	0	0	0	111.1	E188 V190 Y195	E188-H193 WeakPolarHBondContact CA-O 3.36Å; V190-H193 HydrophobicContact CB-CB 4.45Å; V190-H193 PolarHBondContact O-N 3.12Å; H193-Y195 HydrophobicContact CB-CE2 4.19Å; H193-Y195 WeakPolarHBondContact CB-OH 3.4Å; H193-Y195 VanDerWaalsContact O-CE2 3.28Å; H193-Y195 WeakPolarHBondContact O-CE2 3.34Å
194	D	75.6	Confident	82.1	Confident	82 Å²	82	53.1 Å²	53.1	44%	0.439	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.1	-174.3	-71.5	-12.9	0	0	0	112.2	R186 I187	R186-D194 HydrophobicContact CB-CB 4.01Å; R186-D194 HydrophobicContact CG-CB 4.47Å; I187-D194 WeakPolarHBondContact O-CA 3.44Å
195	Y	80.4	Confident	81.9	Confident	5 Å²	5	49.1 Å²	49.1	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	142.6	-176.7	-51.8	-60.6	0	0	0	111.5	R186 I187 F189 H193 I197 P260 H261	R186-Y195 CarbonylContact C-O 3.54Å; R186-Y195 WeakPolarHBondContact CA-O 3.42Å; I187-Y195 PolarHBondContact N-O 3.2Å; I187-Y195 VanDerWaalsContact O-CD2 3.27Å; I187-Y195 WeakPolarHBondContact O-CD2 3.24Å; I187-Y195 PolarHBondContact O-N 2.98Å; F189-Y195 HydrophobicContact CB-CD2 4.33Å; F189-Y195 HydrophobicContact CB-CE2 3.89Å; F189-Y195 AromaticContact CD2-CD2 3.06Å; F189-Y195 HydrophobicContact CD2-CD2 3.06Å; F189-Y195 AromaticContact CD2-CE2 3.16Å; F189-Y195 HydrophobicContact CD2-CE2 3.16Å; F189-Y195 HydrophobicContact CD2-CG 4.09Å; F189-Y195 AromaticContact CE2-CD2 3.35Å; F189-Y195 HydrophobicContact CE2-CD2 3.35Å; F189-Y195 AromaticContact CE2-CE2 3.91Å; F189-Y195 HydrophobicContact CE2-CE2 3.91Å; F189-Y195 AromaticContact CE2-CG 3.99Å; F189-Y195 HydrophobicContact CE2-CG 3.99Å; F189-Y195 AromaticContact CG-CD2 3.8Å; F189-Y195 HydrophobicContact CG-CD2 3.8Å; F189-Y195 AromaticContact CG-CE2 3.81Å; F189-Y195 HydrophobicContact CG-CE2 3.81Å; F189-Y195 HydrophobicContact CZ-CD2 4.35Å; H193-Y195 HydrophobicContact CB-CE2 4.19Å; H193-Y195 WeakPolarHBondContact CB-OH 3.4Å; H193-Y195 VanDerWaalsContact O-CE2 3.28Å; H193-Y195 WeakPolarHBondContact O-CE2 3.34Å; Y195-I197 PolarHBondContact O-N 2.97Å; Y195-P260 WeakPolarHBondContact OH-CA 3.21Å; Y195-H261 HydrophobicContact CD1-CB 4.29Å; Y195-H261 AromaticContact CD1-CE1 3.21Å; Y195-H261 WeakPolarHBondContact CD1-CE1 3.33Å; Y195-H261 AromaticContact CD1-CG 3.57Å; Y195-H261 AromaticContact CD1-ND1 2.97Å; Y195-H261 WeakPolarHBondContact CD1-ND1 3.25Å; Y195-H261 AromaticContact CD1-NE2 3.89Å; Y195-H261 HydrophobicContact CE1-CB 3.88Å; Y195-H261 AromaticContact CE1-CD2 3.58Å; Y195-H261 AromaticContact CE1-CE1 3.47Å; Y195-H261 VanDerWaalsContact CE1-CE1 3.47Å; Y195-H261 WeakPolarHBondContact CE1-CE1 3.17Å; Y195-H261 AromaticContact CE1-CG 3.29Å; Y195-H261 AromaticContact CE1-ND1 3.24Å; Y195-H261 WeakPolarHBondContact CE1-ND1 3.36Å; Y195-H261 AromaticContact CE1-NE2 3.66Å; Y195-H261 PolarHBondContact OH-N 2.71Å
196	D	86.6	Confident	81.5	Confident	77 Å²	77	50.8 Å²	50.8	41%	0.412	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	130.9	170.8	-163.2	-54.5	0	0	0	109.1	T198 D199 F200	D196-T198 VanDerWaalsContact CG-OG1 3.26Å; D196-T198 PolarHBondContact O-N 3.36Å; D196-T198 WeakPolarHBondContact OD1-CB 3.49Å; D196-T198 PolarHBondContact OD1-N 2.91Å; D196-T198 PolarHBondContact OD1-OG1 2.73Å; D196-D199 HydrophobicContact CB-CB 4.49Å; D196-D199 WeakPolarHBondContact O-CB 3.29Å; D196-D199 PolarHBondContact O-N 3.32Å; D196-D199 VanDerWaalsContact O-N 3.09Å; D196-F200 PolarHBondContact O-N 3.5Å
197	I	89.7	Confident	80.9	Confident	2 Å²	2	54 Å²	54	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-55.6	-33.3	176.1	-173.2	135.9	0	0	0	113.4	V182 G185 I187 Y195 D199 F200 L201 M206 L215 I343	V182-I197 HydrophobicContact CG1-CD1 4.48Å; G185-I197 VanDerWaalsContact O-CB 3.29Å; G185-I197 WeakPolarHBondContact O-CB 3.48Å; G185-I197 VanDerWaalsContact O-CG2 3.26Å; G185-I197 WeakPolarHBondContact O-CG2 3.4Å; G185-I197 PolarHBondContact O-N 2.99Å; I187-I197 HydrophobicContact CD1-CB 4.01Å; I187-I197 HydrophobicContact CD1-CD1 4.07Å; I187-I197 HydrophobicContact CD1-CG1 3.89Å; I187-I197 HydrophobicContact CG1-CB 4Å; I187-I197 HydrophobicContact CG1-CD1 3.97Å; I187-I197 HydrophobicContact CG1-CG1 4.15Å; Y195-I197 PolarHBondContact O-N 2.97Å; I197-D199 VanDerWaalsContact C-N 3.32Å; I197-F200 PolarHBondContact O-N 2.88Å; I197-L201 HydrophobicContact CD1-CD1 3.8Å; I197-L201 HydrophobicContact CG1-CD1 3.6Å; I197-L201 HydrophobicContact CG1-CG 4.11Å; I197-L201 WeakPolarHBondContact O-CB 3.44Å; I197-L201 PolarHBondContact O-N 3.26Å; I197-M206 HydrophobicContact CB-CE 3.89Å; I197-M206 HydrophobicContact CD1-CE 3.13Å; I197-M206 HydrophobicContact CG1-CE 3.38Å; I197-M206 HydrophobicContact CG2-CE 3.38Å; I197-M206 HydrophobicContact CG2-CG 4.28Å; I197-L215 HydrophobicContact CD1-CD2 3.43Å; I197-L215 VanDerWaalsContact CD1-CD2 3.43Å; I197-I343 HydrophobicContact CD1-CD1 4.27Å; I197-I343 HydrophobicContact CD1-CG2 3.75Å
198	T	89.5	Confident	80.3	Confident	55 Å²	55	59.9 Å²	59.9	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-71.4	-28.2	179.5	60.6	0	0	0	0	112.5	D196 F200 G202	D196-T198 VanDerWaalsContact CG-OG1 3.26Å; D196-T198 PolarHBondContact O-N 3.36Å; D196-T198 WeakPolarHBondContact OD1-CB 3.49Å; D196-T198 PolarHBondContact OD1-N 2.91Å; D196-T198 PolarHBondContact OD1-OG1 2.73Å; T198-F200 VanDerWaalsContact C-N 3.27Å; T198-F200 PolarHBondContact O-N 2.68Å; T198-G202 WeakPolarHBondContact CA-O 3.24Å; T198-G202 CarbonylContact O-C 3.53Å; T198-G202 WeakPolarHBondContact O-CA 3.33Å; T198-G202 PolarHBondContact O-N 3.46Å
199	D	87.9	Confident	80.1	Confident	81 Å²	81	61.1 Å²	61.1	43%	0.433	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-31.2	173.9	-67	-25.7	0	0	0	111.5	D196 I197 R268	D196-D199 HydrophobicContact CB-CB 4.49Å; D196-D199 WeakPolarHBondContact O-CB 3.29Å; D196-D199 PolarHBondContact O-N 3.32Å; D196-D199 VanDerWaalsContact O-N 3.09Å; I197-D199 VanDerWaalsContact C-N 3.32Å; D199-R268 PolarHBondContact O-NH2 2.86Å
200	F	91.6	Very high	80.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-88.4	-53.6	-179.9	-176	-110.5	0	0	0	112.9	I187 F189 D196 I197 T198 F263 R268 S283 V285 V341 I343	I187-F200 HydrophobicContact CD1-CB 3.74Å; I187-F200 HydrophobicContact CD1-CD1 3.89Å; I187-F200 HydrophobicContact CD1-CG 4.12Å; F189-F200 HydrophobicContact CE1-CD1 4.44Å; F189-F200 HydrophobicContact CE1-CD2 4.48Å; F189-F200 HydrophobicContact CE1-CE1 4.45Å; F189-F200 HydrophobicContact CE1-CE2 4.49Å; F189-F200 HydrophobicContact CE1-CG 4.46Å; F189-F200 HydrophobicContact CE1-CZ 4.48Å; F189-F200 HydrophobicContact CE2-CD2 4.09Å; F189-F200 HydrophobicContact CE2-CG 4.43Å; F189-F200 HydrophobicContact CZ-CB 4.11Å; F189-F200 AromaticContact CZ-CD1 3.99Å; F189-F200 HydrophobicContact CZ-CD1 3.99Å; F189-F200 AromaticContact CZ-CD2 3.52Å; F189-F200 HydrophobicContact CZ-CD2 3.52Å; F189-F200 HydrophobicContact CZ-CE1 4.3Å; F189-F200 AromaticContact CZ-CE2 3.87Å; F189-F200 HydrophobicContact CZ-CE2 3.87Å; F189-F200 AromaticContact CZ-CG 3.59Å; F189-F200 HydrophobicContact CZ-CG 3.59Å; F189-F200 HydrophobicContact CZ-CZ 4.24Å; D196-F200 PolarHBondContact O-N 3.5Å; I197-F200 PolarHBondContact O-N 2.88Å; T198-F200 VanDerWaalsContact C-N 3.27Å; T198-F200 PolarHBondContact O-N 2.68Å; F200-F263 HydrophobicContact CD2-CB 4.32Å; F200-F263 HydrophobicContact CE2-CB 3.85Å; F200-R268 VanDerWaalsContact CE2-CD 3.45Å; F200-R268 VanDerWaalsContact O-CZ 3.28Å; F200-R268 PolarHBondContact O-NE 2.76Å; F200-R268 PolarHBondContact O-NH2 3.1Å; F200-S283 WeakPolarHBondContact CE1-OG 3.22Å; F200-V285 HydrophobicContact CE2-CG2 4.04Å; F200-V285 HydrophobicContact CZ-CG2 4Å; F200-V341 HydrophobicContact CE1-CB 4.05Å; F200-V341 HydrophobicContact CE1-CG1 3.78Å; F200-V341 HydrophobicContact CZ-CB 3.88Å; F200-V341 HydrophobicContact CZ-CG1 4.04Å; F200-V341 HydrophobicContact CZ-CG2 3.93Å; F200-I343 HydrophobicContact CD1-CD1 3.79Å; F200-I343 HydrophobicContact CE1-CD1 4.02Å
201	L	93.4	Very high	81.3	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-86.4	-8.9	-175.5	-65.3	-178.3	0	0	0	113.7	I197 V204 I242 V270 F279 A281 I343	I197-L201 HydrophobicContact CD1-CD1 3.8Å; I197-L201 HydrophobicContact CG1-CD1 3.6Å; I197-L201 HydrophobicContact CG1-CG 4.11Å; I197-L201 WeakPolarHBondContact O-CB 3.44Å; I197-L201 PolarHBondContact O-N 3.26Å; L201-V204 HydrophobicContact CB-CG2 3.66Å; L201-V204 HydrophobicContact CD1-CG2 4.14Å; L201-I242 WeakPolarHBondContact O-CD1 3.25Å; L201-V270 HydrophobicContact CD2-CG1 3.57Å; L201-F279 HydrophobicContact CD1-CE1 3.87Å; L201-F279 HydrophobicContact CD1-CZ 3.89Å; L201-A281 HydrophobicContact CD1-CB 4.34Å; L201-A281 HydrophobicContact CD2-CB 3.92Å; L201-I343 HydrophobicContact CD1-CB 4.21Å; L201-I343 HydrophobicContact CD1-CD1 3.9Å; L201-I343 HydrophobicContact CD1-CG2 4.03Å; L201-I343 HydrophobicContact CD2-CD1 4.02Å; L201-I343 HydrophobicContact CG-CD1 3.99Å
202	G	90.1	Very high	82.2	Confident	6 Å²	6	69.9 Å²	69.9	6%	0.062	38%	0.384	C	S	.	.	S	Bend	trans	76.4	-159.7	-167.5	0	0	0	0	0	112	T198 V204	T198-G202 WeakPolarHBondContact CA-O 3.24Å; T198-G202 CarbonylContact O-C 3.53Å; T198-G202 WeakPolarHBondContact O-CA 3.33Å; T198-G202 PolarHBondContact O-N 3.46Å; G202-V204 PolarHBondContact O-N 2.88Å
203	P	86.6	Confident	83.3	Confident	105 Å²	105	68.9 Å²	68.9	68%	0.682	36%	0.362	S	S	*	.	S	Bend	trans	-57	116.9	179.1	-23.4	33.7	0	0	0	111.3	K272	P203-K272 PolarHBondContact O-NZ 3.37Å
204	V	84.7	Confident	84.4	Confident	25 Å²	25	68.6 Å²	68.6	15%	0.152	36%	0.361	C	S	.	.			trans	-132.2	127.2	173.7	177.4	0	0	0	0	108	L201 G202 M206 K272 F279	L201-V204 HydrophobicContact CB-CG2 3.66Å; L201-V204 HydrophobicContact CD1-CG2 4.14Å; G202-V204 PolarHBondContact O-N 2.88Å; V204-M206 HydrophobicContact CB-CE 4.49Å; V204-M206 HydrophobicContact CG1-CE 3.83Å; V204-M206 HydrophobicContact CG1-CG 4.27Å; V204-M206 HydrophobicContact CG1-SD 3.79Å; V204-M206 PolarHBondContact O-N 3.41Å; V204-M206 VanDerWaalsContact O-N 3.14Å; V204-K272 HydrophobicContact CG2-CD 4.17Å; V204-F279 HydrophobicContact CG1-CE2 4.35Å; V204-F279 HydrophobicContact CG1-CZ 4.32Å; V204-F279 HydrophobicContact CG2-CZ 4.3Å
205	N	79.7	Confident	85.3	Confident	92 Å²	92	65.2 Å²	65.2	49%	0.492	34%	0.343	S	S	.	.			trans	-84.9	86	175.7	-174.5	2.7	0	0	0	110.7	K207 N208	N205-K207 PolarHBondContact O-N 2.92Å; N205-K207 VanDerWaalsContact O-N 3.11Å; N205-K207 WeakPolarHBondContact OD1-CB 3.38Å; N205-K207 PolarHBondContact OD1-N 2.92Å; N205-K207 VanDerWaalsContact OD1-N 3.11Å; N205-N208 PolarHBondContact ND2-ND2 3.38Å; N205-N208 VanDerWaalsContact ND2-ND2 3.2Å; N205-N208 PolarHBondContact ND2-OD1 2.73Å; N205-N208 VanDerWaalsContact ND2-OD1 3.14Å; N205-N208 PolarHBondContact O-N 3.3Å
206	M	74.4	Confident	86	Confident	59 Å²	59	65.5 Å²	65.5	29%	0.291	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-64.6	-11.8	177.9	-68.9	-56.3	-167.6	0	0	114.7	I197 V204 N208 L215	I197-M206 HydrophobicContact CB-CE 3.89Å; I197-M206 HydrophobicContact CD1-CE 3.13Å; I197-M206 HydrophobicContact CG1-CE 3.38Å; I197-M206 HydrophobicContact CG2-CE 3.38Å; I197-M206 HydrophobicContact CG2-CG 4.28Å; V204-M206 HydrophobicContact CB-CE 4.49Å; V204-M206 HydrophobicContact CG1-CE 3.83Å; V204-M206 HydrophobicContact CG1-CG 4.27Å; V204-M206 HydrophobicContact CG1-SD 3.79Å; V204-M206 PolarHBondContact O-N 3.41Å; V204-M206 VanDerWaalsContact O-N 3.14Å; M206-N208 VanDerWaalsContact C-N 3.31Å; M206-L215 HydrophobicContact CE-CD2 3.48Å; M206-L215 VanDerWaalsContact CE-CD2 3.48Å; M206-L215 HydrophobicContact SD-CD2 4.23Å
207	K	73.1	Confident	86.5	Confident	194 Å²	194	61.9 Å²	61.9	84%	0.843	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-76.4	-21.1	176.3	-58.8	-177.2	178.4	179.4	0	112.8	N205 K209	N205-K207 PolarHBondContact O-N 2.92Å; N205-K207 VanDerWaalsContact O-N 3.11Å; N205-K207 WeakPolarHBondContact OD1-CB 3.38Å; N205-K207 PolarHBondContact OD1-N 2.92Å; N205-K207 VanDerWaalsContact OD1-N 3.11Å; K207-K209 VanDerWaalsContact C-N 3.29Å
208	N	71.4	Confident	86.8	Confident	123 Å²	123	61.8 Å²	61.8	66%	0.658	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-91.9	12.5	-178.7	-73.6	11.2	0	0	0	113.2	N205 M206	N205-N208 PolarHBondContact ND2-ND2 3.38Å; N205-N208 VanDerWaalsContact ND2-ND2 3.2Å; N205-N208 PolarHBondContact ND2-OD1 2.73Å; N205-N208 VanDerWaalsContact ND2-OD1 3.14Å; N205-N208 PolarHBondContact O-N 3.3Å; M206-N208 VanDerWaalsContact C-N 3.31Å
209	K	77.4	Confident	87	Confident	74 Å²	74	59.2 Å²	59.2	32%	0.322	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-55.1	140	175.8	175.8	171.5	176.8	-146.5	0	111.4	K207 K211 H213 E214 E345	K207-K209 VanDerWaalsContact C-N 3.29Å; K209-K211 PolarHBondContact O-N 2.8Å; K209-H213 WeakPolarHBondContact CE-O 3.19Å; K209-H213 PolarHBondContact NZ-O 2.9Å; K209-E214 VanDerWaalsContact NZ-CA 3.29Å; K209-E345 WeakPolarHBondContact CA-OE1 3.4Å; K209-E345 HydrophobicContact CG-CG 4.23Å; K209-E345 WeakPolarHBondContact CG-OE1 3.14Å
210	E	83.1	Confident	87.4	Confident	107 Å²	107	55.3 Å²	55.3	50%	0.5	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-57.5	133.5	176.8	-74.8	-63.1	164.9	0	0	111.2	G212 H213 E345	E210-G212 PolarHBondContact O-N 2.96Å; E210-H213 HydrophobicContact CB-CB 4.2Å; E210-H213 WeakPolarHBondContact CB-ND1 3.39Å; E210-H213 PolarHBondContact O-N 3.45Å; E210-H213 VanDerWaalsContact O-N 3.13Å; E210-E345 PolarHBondContact N-OE2 2.88Å
211	K	83.9	Confident	87.5	Confident	203 Å²	203	56.6 Å²	56.6	88%	0.883	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	128	-175.2	-74.8	-174.4	-179.2	177.2	0	110.1	K209 H213	K209-K211 PolarHBondContact O-N 2.8Å; K211-H213 VanDerWaalsContact C-N 3.27Å; K211-H213 PolarHBondContact O-N 2.96Å
212	G	87.8	Confident	87.6	Confident	61 Å²	61	56.6 Å²	56.6	63%	0.629	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-2	179	0	0	0	0	0	114.4	E210 P348	E210-G212 PolarHBondContact O-N 2.96Å; G212-P348 WeakPolarHBondContact O-CD 3.48Å
213	H	92.6	Very high	87.6	Confident	42 Å²	42	57.6 Å²	57.6	19%	0.194	30%	0.3	C	S	.	.			trans	-86.4	166.8	171.3	-67.7	-179.3	0	0	0	111.2	K209 E210 K211 H277 E345 A346	K209-H213 WeakPolarHBondContact CE-O 3.19Å; K209-H213 PolarHBondContact NZ-O 2.9Å; E210-H213 HydrophobicContact CB-CB 4.2Å; E210-H213 WeakPolarHBondContact CB-ND1 3.39Å; E210-H213 PolarHBondContact O-N 3.45Å; E210-H213 VanDerWaalsContact O-N 3.13Å; K211-H213 VanDerWaalsContact C-N 3.27Å; K211-H213 PolarHBondContact O-N 2.96Å; H213-H277 PolarHBondContact CE1-O 2.85Å; H213-H277 PolarHBondContact ND1-O 3.1Å; H213-E345 HydrophobicContact CB-CB 4.42Å; H213-A346 CarbonylContact C-O 3.58Å; H213-A346 WeakPolarHBondContact CA-O 3.42Å; H213-A346 WeakPolarHBondContact CB-O 3.36Å
214	E	93.4	Very high	87.7	Confident	48 Å²	48	53.7 Å²	53.7	22%	0.224	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	156.9	175.6	-60.9	-158.1	148.9	0	0	109.9	K181 K209 Y216 E345 A346 P348	K181-E214 VanDerWaalsContact CD-OE2 3.22Å; K181-E214 WeakPolarHBondContact CD-OE2 3.29Å; K181-E214 VanDerWaalsContact CE-CD 3.43Å; K181-E214 WeakPolarHBondContact CE-OE2 3.4Å; K181-E214 IonicContact NZ-OE1 3.69Å; K181-E214 PolarHBondContact NZ-OE1 2.9Å; K181-E214 IonicContact NZ-OE2 3.06Å; K181-E214 PolarHBondContact NZ-OE2 3.39Å; K209-E214 VanDerWaalsContact NZ-CA 3.29Å; E214-Y216 HydrophobicContact CB-CD2 4.47Å; E214-Y216 HydrophobicContact CB-CE2 3.66Å; E214-E345 CarbonylContact O-C 3.45Å; E214-E345 VanDerWaalsContact O-CA 3.23Å; E214-E345 WeakPolarHBondContact O-CA 3.27Å; E214-A346 PolarHBondContact N-O 3.47Å; E214-A346 PolarHBondContact O-N 3.04Å; E214-P348 HydrophobicContact CG-CB 4.09Å
215	L	94.2	Very high	88	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.3	179.2	-169.5	70.3	0	0	0	108.4	V182 I197 M206 F279 I343 E345	V182-L215 HydrophobicContact CB-CB 4.08Å; V182-L215 HydrophobicContact CB-CD2 3.97Å; V182-L215 HydrophobicContact CB-CG 4.02Å; V182-L215 HydrophobicContact CG1-CD2 3.92Å; V182-L215 HydrophobicContact CG2-CD2 4.23Å; V182-L215 HydrophobicContact CG2-CG 4.06Å; V182-L215 PolarHBondContact N-O 2.78Å; I197-L215 HydrophobicContact CD1-CD2 3.43Å; I197-L215 VanDerWaalsContact CD1-CD2 3.43Å; M206-L215 HydrophobicContact CE-CD2 3.48Å; M206-L215 VanDerWaalsContact CE-CD2 3.48Å; M206-L215 HydrophobicContact SD-CD2 4.23Å; L215-F279 HydrophobicContact CD1-CD1 4.27Å; L215-I343 HydrophobicContact CD1-CG2 3.85Å; L215-I343 HydrophobicContact CD2-CG2 4.14Å; L215-I343 HydrophobicContact CG-CG2 4.02Å; L215-E345 HydrophobicContact CD1-CG 3.94Å
216	Y	95.5	Very high	88.7	Confident	12 Å²	12	50.2 Å²	50.2	5%	0.047	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.5	-176.4	-65.9	-84.6	0	0	0	110.7	G180 K181 E214 I343 F344 A346 P347 P348 L350 F352	G180-Y216 CarbonylContact O-C 3.5Å; G180-Y216 WeakPolarHBondContact O-CA 3.29Å; K181-Y216 HydrophobicContact CB-CD1 4.27Å; K181-Y216 HydrophobicContact CB-CE1 4.18Å; E214-Y216 HydrophobicContact CB-CD2 4.47Å; E214-Y216 HydrophobicContact CB-CE2 3.66Å; Y216-I343 VanDerWaalsContact O-CA 3.3Å; Y216-I343 WeakPolarHBondContact O-CA 3.25Å; Y216-F344 HydrophobicContact CD2-CE2 4.34Å; Y216-F344 HydrophobicContact CG-CE2 4.32Å; Y216-F344 PolarHBondContact N-O 2.93Å; Y216-F344 PolarHBondContact O-N 3.22Å; Y216-A346 HydrophobicContact CD2-CB 3.78Å; Y216-A346 HydrophobicContact CE2-CB 3.78Å; Y216-P347 PolarHBondContact OH-O 2.85Å; Y216-P348 WeakPolarHBondContact OH-CA 3.47Å; Y216-L350 HydrophobicContact CD1-CD2 4.18Å; Y216-L350 HydrophobicContact CD2-CD1 4.32Å; Y216-L350 HydrophobicContact CE1-CD2 4.14Å; Y216-L350 HydrophobicContact CE2-CB 4.22Å; Y216-L350 HydrophobicContact CE2-CD1 4.46Å; Y216-F352 AromaticContact CD1-CE2 3.81Å; Y216-F352 HydrophobicContact CD1-CE2 3.81Å; Y216-F352 AromaticContact CD1-CZ 3.9Å; Y216-F352 HydrophobicContact CD1-CZ 3.9Å; Y216-F352 HydrophobicContact CE1-CE2 4.32Å; Y216-F352 HydrophobicContact CG-CZ 4.34Å
217	Q	95.7	Very high	89.6	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	149.2	177.4	54.5	163.5	-19.8	0	0	112	H178 Y179 G180 V182 E188 L342 I343	H178-Q217 PolarHBondContact CE1-NE2 2.77Å; H178-Q217 PolarHBondContact ND1-NE2 2.73Å; Y179-Q217 CarbonylContact C-O 3.54Å; Y179-Q217 VanDerWaalsContact CA-O 3.24Å; Y179-Q217 WeakPolarHBondContact CA-O 3.29Å; G180-Q217 PolarHBondContact N-O 2.98Å; G180-Q217 WeakPolarHBondContact O-CG 3.35Å; G180-Q217 PolarHBondContact O-N 2.73Å; V182-Q217 HydrophobicContact CG2-CB 3.92Å; V182-Q217 HydrophobicContact CG2-CG 3.83Å; E188-Q217 VanDerWaalsContact N-NE2 3.15Å; E188-Q217 PolarHBondContact O-NE2 3.32Å; E188-Q217 PolarHBondContact O-OE1 2.81Å; Q217-L342 CarbonylContact C-O 3.52Å; Q217-L342 WeakPolarHBondContact CA-O 3.35Å; Q217-I343 HydrophobicContact CB-CG1 4.34Å
218	V	96.7	Very high	90.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.7	170.3	-179.6	0	0	0	0	108.6	L220 V341 L342 F344 F352 L366	V218-L220 HydrophobicContact CG1-CD1 4.46Å; V218-L220 HydrophobicContact CG1-CG 4.28Å; V218-V341 WeakPolarHBondContact O-CA 3.41Å; V218-L342 HydrophobicContact CB-CB 4.26Å; V218-L342 HydrophobicContact CB-CD1 4.48Å; V218-L342 PolarHBondContact N-O 3.3Å; V218-L342 PolarHBondContact O-N 2.78Å; V218-F344 HydrophobicContact CG2-CE1 4.12Å; V218-F344 HydrophobicContact CG2-CZ 4.5Å; V218-F352 HydrophobicContact CG2-CD1 4.35Å; V218-F352 HydrophobicContact CG2-CE1 3.57Å; V218-F352 HydrophobicContact CG2-CZ 4.35Å; V218-L366 HydrophobicContact CG1-CD1 4.36Å; V218-L366 HydrophobicContact CG1-CD2 4.33Å
219	I	94.8	Very high	91.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.4	-177.6	-53.1	177.9	0	0	0	109.1	I177 H178 F189 F263 T339 V341	I177-I219 HydrophobicContact CB-CB 4.26Å; I177-I219 HydrophobicContact CB-CG2 3.99Å; I177-I219 HydrophobicContact CG1-CG2 4.41Å; I177-I219 PolarHBondContact N-O 3.44Å; H178-I219 HydrophobicContact CB-CB 4.4Å; H178-I219 HydrophobicContact CB-CD1 3.87Å; H178-I219 HydrophobicContact CB-CG1 4.32Å; H178-I219 PolarHBondContact O-N 3.39Å; F189-I219 VanDerWaalsContact CA-CD1 3.46Å; F189-I219 HydrophobicContact CB-CD1 3.9Å; F189-I219 HydrophobicContact CD1-CD1 3.45Å; F189-I219 VanDerWaalsContact CD1-CD1 3.45Å; F189-I219 HydrophobicContact CD1-CG1 4.46Å; F189-I219 HydrophobicContact CE1-CD1 4.42Å; F189-I219 HydrophobicContact CG-CD1 4.13Å; I219-F263 HydrophobicContact CD1-CE2 4.2Å; I219-F263 HydrophobicContact CG2-CE2 3.87Å; I219-F263 HydrophobicContact CG2-CZ 4.22Å; I219-T339 HydrophobicContact CG2-CG2 3.63Å; I219-V341 HydrophobicContact CG1-CG1 4.32Å; I219-V341 HydrophobicContact CG1-CG2 4.38Å; I219-V341 HydrophobicContact CG2-CG2 4.26Å
220	L	95.7	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.1	-177.6	-69.1	160.9	0	0	0	109.9	P171 V175 V176 V218 L222 T339 V340 L360	P171-L220 VanDerWaalsContact CD-CD1 3.45Å; P171-L220 HydrophobicContact CG-CD1 3.66Å; V175-L220 WeakPolarHBondContact O-CA 3.22Å; V176-L220 HydrophobicContact CB-CD2 4.42Å; V176-L220 HydrophobicContact CG2-CD2 3.77Å; V218-L220 HydrophobicContact CG1-CD1 4.46Å; V218-L220 HydrophobicContact CG1-CG 4.28Å; L220-L222 WeakPolarHBondContact O-CD1 3.35Å; L220-T339 CarbonylContact O-C 3.52Å; L220-T339 VanDerWaalsContact O-CA 3.26Å; L220-T339 WeakPolarHBondContact O-CA 3.39Å; L220-T339 WeakPolarHBondContact O-CG2 3.4Å; L220-V340 PolarHBondContact N-O 3.47Å; L220-V340 PolarHBondContact O-N 3.21Å; L220-L360 HydrophobicContact CD2-CD1 3.95Å
221	Y	94	Very high	93.4	Very high	26 Å²	26	24.8 Å²	24.8	10%	0.102	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.2	172.5	167.9	-109.8	0	0	0	110.1	G174 V175 I177 A223 V251 R252 P253	G174-Y221 CarbonylContact C-O 3.58Å; G174-Y221 WeakPolarHBondContact CA-O 3.29Å; V175-Y221 PolarHBondContact N-O 2.82Å; V175-Y221 PolarHBondContact O-N 3.49Å; I177-Y221 HydrophobicContact CD1-CG 4.45Å; Y221-A223 HydrophobicContact CD1-CB 4.43Å; Y221-A223 HydrophobicContact CE1-CB 3.74Å; Y221-V251 HydrophobicContact CD2-CG2 3.99Å; Y221-V251 HydrophobicContact CE2-CG2 4Å; Y221-R252 HydrophobicContact CE2-CG 4.35Å; Y221-P253 HydrophobicContact CD1-CG 4.25Å; Y221-P253 HydrophobicContact CG-CG 4.4Å
222	L	94	Very high	94.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	108.7	177	-69.8	72.8	0	0	0	108.1	A172 D173 L220 F334 S338 V340	A172-L222 HydrophobicContact CB-CD1 3.94Å; A172-L222 HydrophobicContact CB-CD2 3.95Å; A172-L222 HydrophobicContact CB-CG 4.07Å; D173-L222 WeakPolarHBondContact O-CG 3.37Å; L220-L222 WeakPolarHBondContact O-CD1 3.35Å; L222-F334 HydrophobicContact CD2-CD2 4.12Å; L222-F334 HydrophobicContact CD2-CE2 4.19Å; L222-S338 PolarHBondContact N-O 2.88Å; L222-V340 HydrophobicContact CD1-CB 4.36Å; L222-V340 HydrophobicContact CD1-CG2 3.88Å
223	A	91.1	Very high	94.5	Very high	27 Å²	27	12.3 Å²	12.3	22%	0.223	7%	0.066	C	C	.	.			trans	-76.2	153	178	0	0	0	0	0	110.5	Y221 G225 N226 H228	Y221-A223 HydrophobicContact CD1-CB 4.43Å; Y221-A223 HydrophobicContact CE1-CB 3.74Å; A223-G225 PolarHBondContact O-N 2.87Å; A223-N226 WeakPolarHBondContact CB-OD1 3.47Å; A223-N226 PolarHBondContact N-OD1 3.14Å; A223-N226 WeakPolarHBondContact O-CB 3.37Å; A223-N226 PolarHBondContact O-N 2.62Å; A223-N226 PolarHBondContact O-OD1 3.09Å; A223-H228 PolarHBondContact O-CE1 3.38Å; A223-H228 PolarHBondContact O-NE2 2.96Å
224	P	88.8	Confident	94.8	Very high	23 Å²	23	10.3 Å²	10.3	15%	0.149	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-17.5	-173.1	-25.8	33.6	0	0	0	116.6	Y126 Y130 F152	Y126-P224 WeakPolarHBondContact OH-CB 3.19Å; Y126-P224 PolarHBondContact OH-O 2.96Å; Y130-P224 HydrophobicContact CD1-CB 3.7Å; Y130-P224 HydrophobicContact CD1-CG 4.08Å; Y130-P224 HydrophobicContact CD2-CB 4.44Å; Y130-P224 HydrophobicContact CE1-CB 3.9Å; Y130-P224 HydrophobicContact CE1-CG 3.98Å; Y130-P224 HydrophobicContact CG-CB 3.98Å; F152-P224 WeakPolarHBondContact CE2-O 3.38Å
225	G	90.8	Very high	95	Very high	8 Å²	8	15.8 Å²	15.8	8%	0.082	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-19.9	175.6	0	0	0	0	0	115	Y130 A223	Y130-G225 VanDerWaalsContact O-CA 3.29Å; Y130-G225 WeakPolarHBondContact O-CA 3.34Å; A223-G225 PolarHBondContact O-N 2.87Å
226	N	93.3	Very high	95.1	Very high	36 Å²	36	15.6 Å²	15.6	19%	0.193	8%	0.079	C	C	.	.	S	Bend	trans	-70.3	164.5	-177	-61.3	139	0	0	0	111.9	D173 A223 H228	D173-N226 HydrophobicContact CB-CB 3.97Å; D173-N226 WeakPolarHBondContact O-CB 3.32Å; A223-N226 WeakPolarHBondContact CB-OD1 3.47Å; A223-N226 PolarHBondContact N-OD1 3.14Å; A223-N226 WeakPolarHBondContact O-CB 3.37Å; A223-N226 PolarHBondContact O-N 2.62Å; A223-N226 PolarHBondContact O-OD1 3.09Å; N226-H228 PolarHBondContact O-CE1 2.92Å; N226-H228 VanDerWaalsContact O-CE1 3.27Å; N226-H228 PolarHBondContact O-ND1 3.31Å
227	Y	94.5	Very high	95.3	Very high	11 Å²	11	18.1 Å²	18.1	4%	0.043	9%	0.092	C	C	.	.			trans	-69	129.8	163.4	167.7	-109.6	0	0	0	109.4	R154 L156 G229 H231 Y362	R154-Y227 WeakPolarHBondContact O-CE2 3.43Å; L156-Y227 HydrophobicContact CD1-CD1 4Å; L156-Y227 HydrophobicContact CD1-CD2 4.03Å; L156-Y227 HydrophobicContact CD1-CG 3.71Å; L156-Y227 HydrophobicContact CD2-CD2 4.14Å; L156-Y227 HydrophobicContact CD2-CG 4.46Å; L156-Y227 HydrophobicContact CG-CD2 3.78Å; L156-Y227 HydrophobicContact CG-CE2 4.13Å; L156-Y227 HydrophobicContact CG-CG 4.01Å; Y227-G229 WeakPolarHBondContact CE1-O 3.23Å; Y227-H231 AromaticContact CE1-CD2 3.75Å; Y227-H231 AromaticContact CE1-NE2 3.23Å; Y227-H231 WeakPolarHBondContact CE1-NE2 3.43Å; Y227-H231 AromaticContact CZ-NE2 3.49Å; Y227-H231 PolarHBondContact OH-NE2 2.91Å; Y227-Y362 AromaticContact CD1-CD1 3.79Å; Y227-Y362 HydrophobicContact CD1-CD1 3.79Å; Y227-Y362 AromaticContact CD1-CE1 3.79Å; Y227-Y362 HydrophobicContact CD1-CE1 3.79Å; Y227-Y362 AromaticContact CE1-CD1 3.8Å; Y227-Y362 HydrophobicContact CE1-CD1 3.8Å; Y227-Y362 AromaticContact CE1-CE1 3.58Å; Y227-Y362 HydrophobicContact CE1-CE1 3.58Å
228	H	93.3	Very high	95.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.			trans	-106.6	13.4	-171.3	-76.6	74.9	0	0	0	114.5	F152 A223 N226 E333 F334	F152-H228 HydrophobicContact CD1-CB 4.17Å; F152-H228 HydrophobicContact CE1-CB 3.4Å; F152-H228 VanDerWaalsContact CE1-CB 3.4Å; F152-H228 AromaticContact CE1-CD2 3.62Å; F152-H228 AromaticContact CE1-CG 3.25Å; F152-H228 AromaticContact CE1-ND1 3.61Å; F152-H228 AromaticContact CE2-CE1 3.53Å; F152-H228 AromaticContact CE2-ND1 3.61Å; F152-H228 AromaticContact CE2-NE2 3.97Å; F152-H228 HydrophobicContact CZ-CB 3.89Å; F152-H228 AromaticContact CZ-CD2 3.25Å; F152-H228 WeakPolarHBondContact CZ-CD2 3.43Å; F152-H228 AromaticContact CZ-CE1 3.19Å; F152-H228 WeakPolarHBondContact CZ-CE1 3.29Å; F152-H228 AromaticContact CZ-CG 3.16Å; F152-H228 AromaticContact CZ-ND1 3.14Å; F152-H228 WeakPolarHBondContact CZ-ND1 3.42Å; F152-H228 AromaticContact CZ-NE2 3.26Å; F152-H228 VanDerWaalsContact CZ-NE2 3.26Å; F152-H228 WeakPolarHBondContact CZ-NE2 3.18Å; A223-H228 PolarHBondContact O-CE1 3.38Å; A223-H228 PolarHBondContact O-NE2 2.96Å; N226-H228 PolarHBondContact O-CE1 2.92Å; N226-H228 VanDerWaalsContact O-CE1 3.27Å; N226-H228 PolarHBondContact O-ND1 3.31Å; H228-E333 WeakPolarHBondContact O-CA 3.5Å; H228-F334 PolarHBondContact O-N 2.98Å
229	G	95.4	Very high	95.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	146.4	158.4	0	0	0	0	0	110.1	Y227 G332	Y227-G229 WeakPolarHBondContact CE1-O 3.23Å; G229-G332 WeakPolarHBondContact CA-O 3.27Å
230	F	97	Very high	95.4	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.2	169.9	54.5	-90.2	0	0	0	109.8	P171 A172 M282 A284 V293 I295 V331 G332 E333 F334 V340	P171-F230 CarbonylContact O-C 3.47Å; P171-F230 WeakPolarHBondContact O-CA 3.38Å; A172-F230 HydrophobicContact CB-CB 4.44Å; F230-M282 HydrophobicContact CD2-CE 3.6Å; F230-M282 HydrophobicContact CD2-SD 4.19Å; F230-M282 HydrophobicContact CE2-CE 3.83Å; F230-A284 HydrophobicContact CE1-CB 4.1Å; F230-A284 HydrophobicContact CE2-CB 4.39Å; F230-A284 HydrophobicContact CZ-CB 3.85Å; F230-V293 HydrophobicContact CE1-CG1 4.39Å; F230-V293 HydrophobicContact CZ-CG1 4.29Å; F230-I295 HydrophobicContact CE2-CD1 3.93Å; F230-I295 HydrophobicContact CZ-CD1 3.73Å; F230-V331 HydrophobicContact CD2-CB 3.94Å; F230-V331 HydrophobicContact CD2-CG1 4.29Å; F230-V331 HydrophobicContact CE2-CB 3.99Å; F230-V331 HydrophobicContact CE2-CG1 3.91Å; F230-V331 PolarHBondContact O-N 3.21Å; F230-G332 VanDerWaalsContact CE1-C 3.45Å; F230-G332 PolarHBondContact N-O 3.1Å; F230-G332 PolarHBondContact O-N 3.43Å; F230-E333 VanDerWaalsContact CE1-N 3.3Å; F230-F334 AromaticContact CD1-CD2 3.57Å; F230-F334 HydrophobicContact CD1-CD2 3.57Å; F230-F334 AromaticContact CD1-CE2 3.33Å; F230-F334 HydrophobicContact CD1-CE2 3.33Å; F230-F334 HydrophobicContact CD1-CZ 4.12Å; F230-F334 AromaticContact CE1-CD2 3.81Å; F230-F334 HydrophobicContact CE1-CD2 3.81Å; F230-F334 AromaticContact CE1-CE2 3.65Å; F230-F334 HydrophobicContact CE1-CE2 3.65Å; F230-F334 HydrophobicContact CE1-CG 4.37Å; F230-F334 HydrophobicContact CE1-CZ 4.07Å; F230-F334 HydrophobicContact CG-CE2 4.27Å; F230-V340 HydrophobicContact CB-CG2 3.97Å; F230-V340 HydrophobicContact CG-CG2 4.33Å
231	H	98.1	Very high	95.4	Very high	11 Å²	11	24.5 Å²	24.5	5%	0.051	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	158.9	-166.3	-68.7	-103.9	0	0	0	109.9	P171 Y227 P233 G328 D329 K330 Y362	P171-H231 VanDerWaalsContact CA-O 3.24Å; P171-H231 WeakPolarHBondContact CA-O 3.22Å; P171-H231 WeakPolarHBondContact CB-O 2.95Å; P171-H231 PolarHBondContact O-N 3.13Å; Y227-H231 AromaticContact CE1-CD2 3.75Å; Y227-H231 AromaticContact CE1-NE2 3.23Å; Y227-H231 WeakPolarHBondContact CE1-NE2 3.43Å; Y227-H231 AromaticContact CZ-NE2 3.49Å; Y227-H231 PolarHBondContact OH-NE2 2.91Å; H231-P233 WeakPolarHBondContact O-CD 3.3Å; H231-G328 PolarHBondContact ND1-O 2.84Å; H231-D329 CarbonylContact C-O 3.52Å; H231-D329 WeakPolarHBondContact CA-O 3.45Å; H231-D329 WeakPolarHBondContact CB-O 3.39Å; H231-K330 WeakPolarHBondContact ND1-CA 3.37Å; H231-Y362 HydrophobicContact CB-CD2 4.17Å; H231-Y362 AromaticContact CD2-CD1 3.96Å; H231-Y362 AromaticContact CD2-CG 3.89Å; H231-Y362 AromaticContact CE1-CZ 3.97Å; H231-Y362 AromaticContact CG-CD2 3.87Å; H231-Y362 AromaticContact ND1-CE2 3.98Å; H231-Y362 AromaticContact NE2-CE1 3.89Å; H231-Y362 AromaticContact NE2-CZ 3.93Å
232	A	98.4	Very high	95.5	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	12%	0.119	C	C	.	.			trans	-66.4	123.9	179.8	0	0	0	0	0	109.8	A234 Y325 R326 P327 G328 D329 V331	A232-A234 VanDerWaalsContact C-N 3.32Å; A232-Y325 HydrophobicContact CB-CD1 4.23Å; A232-Y325 HydrophobicContact CB-CG 4.02Å; A232-R326 WeakPolarHBondContact CB-O 3.26Å; A232-P327 WeakPolarHBondContact O-CA 3.26Å; A232-G328 PolarHBondContact O-N 3.15Å; A232-D329 HydrophobicContact CB-CB 4.36Å; A232-D329 PolarHBondContact N-O 3.19Å; A232-V331 HydrophobicContact CB-CG2 3.86Å
233	P	98.1	Very high	95.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-80.1	-14.7	-177.6	32.7	-37.9	0	0	0	113.1	L168 V169 P171 H231 F280 L342	L168-P233 CarbonylContact C-O 3.43Å; L168-P233 WeakPolarHBondContact CA-O 3.42Å; L168-P233 HydrophobicContact CD1-CB 3.99Å; L168-P233 HydrophobicContact CD1-CG 4.44Å; V169-P233 VanDerWaalsContact CG2-O 3.31Å; V169-P233 WeakPolarHBondContact CG2-O 3.1Å; V169-P233 PolarHBondContact N-O 3.45Å; V169-P233 WeakPolarHBondContact O-CA 3.49Å; V169-P233 WeakPolarHBondContact O-CB 3.22Å; P171-P233 HydrophobicContact CB-CB 4.15Å; P171-P233 HydrophobicContact CB-CG 4.49Å; H231-P233 WeakPolarHBondContact O-CD 3.3Å; P233-F280 HydrophobicContact CB-CZ 4.36Å; P233-F280 HydrophobicContact CG-CE1 3.68Å; P233-F280 HydrophobicContact CG-CE2 4.45Å; P233-F280 HydrophobicContact CG-CZ 3.35Å; P233-L342 HydrophobicContact CB-CD1 3.9Å; P233-L342 HydrophobicContact CG-CD1 4.06Å; P233-L342 HydrophobicContact CG-CD2 3.93Å
234	A	97.8	Very high	95.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-154	171.4	-175.4	0	0	0	0	0	110	D167 L168 A232 W236 W275 F280	D167-A234 VanDerWaalsContact O-CB 3.32Å; D167-A234 WeakPolarHBondContact O-CB 2.73Å; L168-A234 HydrophobicContact CD1-CB 4.05Å; A232-A234 VanDerWaalsContact C-N 3.32Å; A234-W236 PolarHBondContact O-N 2.85Å; A234-W275 HydrophobicContact CB-CE3 3.81Å; A234-W275 HydrophobicContact CB-CZ3 4.23Å; A234-F280 HydrophobicContact CB-CE2 4.4Å
235	K	98	Very high	95.5	Very high	163 Å²	163	24.6 Å²	24.6	71%	0.709	12%	0.122	S	C	*	.	S	Bend	trans	-70	108.3	162.7	-176.1	-178.6	178.3	-177.3	0	108.3	Y325	K235-Y325 WeakPolarHBondContact CA-O 2.87Å
236	W	97	Very high	95.3	Very high	6 Å²	6	25.3 Å²	25.3	2%	0.023	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.7	-167.4	161	58.8	0	0	0	110.8	A234 A238 L271 S274 W275 F280 M282 Y325	A234-W236 PolarHBondContact O-N 2.85Å; W236-A238 HydrophobicContact CD2-CB 4.48Å; W236-A238 HydrophobicContact CH2-CB 3.64Å; W236-A238 HydrophobicContact CZ2-CB 3.49Å; W236-A238 VanDerWaalsContact CZ2-CB 3.49Å; W236-A238 HydrophobicContact CZ3-CB 4.2Å; W236-L271 HydrophobicContact CH2-CB 3.36Å; W236-L271 HydrophobicContact CH2-CD1 3.85Å; W236-L271 HydrophobicContact CH2-CG 4.27Å; W236-L271 HydrophobicContact CZ2-CB 3.73Å; W236-L271 WeakPolarHBondContact CZ2-O 3.39Å; W236-L271 HydrophobicContact CZ3-CD1 4.45Å; W236-S274 VanDerWaalsContact CD1-O 3.26Å; W236-W275 HydrophobicContact CB-CB 4.35Å; W236-F280 HydrophobicContact CB-CD1 4.48Å; W236-F280 AromaticContact CD1-CD1 3.75Å; W236-F280 AromaticContact CD1-CG 3.86Å; W236-F280 AromaticContact CD2-CD1 3.88Å; W236-F280 HydrophobicContact CD2-CD1 3.88Å; W236-F280 HydrophobicContact CD2-CE1 4.42Å; W236-F280 AromaticContact CE2-CD1 3.9Å; W236-F280 HydrophobicContact CG-CB 4.31Å; W236-F280 AromaticContact CG-CD1 3.8Å; W236-F280 HydrophobicContact CG-CD1 3.8Å; W236-F280 HydrophobicContact CG-CG 4.17Å; W236-F280 AromaticContact NE1-CD1 3.81Å; W236-F280 PolarHBondContact NE1-O 3.17Å; W236-M282 HydrophobicContact CH2-CB 4.25Å; W236-M282 HydrophobicContact CZ3-CB 4.46Å; W236-M282 HydrophobicContact CZ3-CE 4.3Å; W236-Y325 HydrophobicContact CD2-CD2 4.49Å; W236-Y325 AromaticContact CE3-CD2 3.64Å; W236-Y325 HydrophobicContact CE3-CD2 3.64Å; W236-Y325 HydrophobicContact CE3-CE2 4.33Å; W236-Y325 HydrophobicContact CE3-CG 4.34Å; W236-Y325 HydrophobicContact CH2-CD2 4.48Å; W236-Y325 HydrophobicContact CH2-CE2 4.42Å; W236-Y325 AromaticContact CZ3-CD2 3.64Å; W236-Y325 HydrophobicContact CZ3-CD2 3.64Å; W236-Y325 AromaticContact CZ3-CE2 3.87Å; W236-Y325 HydrophobicContact CZ3-CE2 3.87Å; W236-Y325 PolarHBondContact N-O 2.76Å; W236-Y325 VanDerWaalsContact N-O 3.11Å; W236-Y325 PolarHBondContact O-N 3.41Å
237	M	98	Very high	94.9	Very high	65 Å²	65	25.1 Å²	25.1	32%	0.32	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.1	174.4	-169.6	72.4	-109	0	0	107.9	N239 G273 S274 H323 A324	M237-N239 VanDerWaalsContact CG-OD1 3.27Å; M237-N239 WeakPolarHBondContact CG-OD1 3.46Å; M237-N239 PolarHBondContact O-OD1 3.38Å; M237-N239 VanDerWaalsContact O-OD1 3.11Å; M237-G273 CarbonylContact O-C 3.57Å; M237-G273 WeakPolarHBondContact O-CA 3.36Å; M237-S274 PolarHBondContact N-O 3.06Å; M237-S274 PolarHBondContact O-N 3.47Å; M237-H323 WeakPolarHBondContact CE-O 3.08Å; M237-A324 HydrophobicContact CE-CB 3.85Å; M237-A324 VanDerWaalsContact CE-N 3.25Å; M237-A324 HydrophobicContact SD-CB 3.8Å
238	A	97.8	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.4	172.8	0	0	0	0	0	109.3	W236 L321 E322 H323 Y325	W236-A238 HydrophobicContact CD2-CB 4.48Å; W236-A238 HydrophobicContact CH2-CB 3.64Å; W236-A238 HydrophobicContact CZ2-CB 3.49Å; W236-A238 VanDerWaalsContact CZ2-CB 3.49Å; W236-A238 HydrophobicContact CZ3-CB 4.2Å; A238-L321 HydrophobicContact CB-CD2 4.14Å; A238-E322 CarbonylContact O-C 3.53Å; A238-E322 VanDerWaalsContact O-CA 3.23Å; A238-E322 WeakPolarHBondContact O-CA 3.49Å; A238-E322 PolarHBondContact O-N 2.69Å; A238-H323 PolarHBondContact N-O 3.48Å; A238-H323 PolarHBondContact O-N 3.47Å; A238-Y325 HydrophobicContact CB-CD2 4.17Å; A238-Y325 HydrophobicContact CB-CE2 3.81Å
239	N	96.1	Very high	94.2	Very high	70 Å²	70	24.8 Å²	24.8	37%	0.374	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-36.1	-174.4	-60.9	33.6	0	0	0	110.9	M237 K272 L321	M237-N239 VanDerWaalsContact CG-OD1 3.27Å; M237-N239 WeakPolarHBondContact CG-OD1 3.46Å; M237-N239 PolarHBondContact O-OD1 3.38Å; M237-N239 VanDerWaalsContact O-OD1 3.11Å; N239-K272 PolarHBondContact N-O 3.34Å; N239-L321 PolarHBondContact O-N 3.46Å
240	E	96	Very high	93.8	Very high	65 Å²	65	25.4 Å²	25.4	30%	0.304	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.8	-171.7	-169.9	179.2	-102.3	0	0	110.2	I242 L271 K272 T318	E240-I242 HydrophobicContact CG-CG1 4.15Å; E240-I242 VanDerWaalsContact OE2-CD1 3.29Å; E240-I242 WeakPolarHBondContact OE2-CD1 3.48Å; E240-L271 CarbonylContact O-C 3.55Å; E240-L271 WeakPolarHBondContact O-CA 3.26Å; E240-K272 PolarHBondContact N-O 3.21Å; E240-K272 VanDerWaalsContact N-O 3.08Å; E240-K272 PolarHBondContact O-N 3.3Å; E240-K272 WeakPolarHBondContact OE2-CE 3.19Å; E240-K272 IonicContact OE2-NZ 3.82Å; E240-K272 PolarHBondContact OE2-NZ 2.82Å; E240-T318 HydrophobicContact CG-CG2 3.41Å; E240-T318 VanDerWaalsContact CG-CG2 3.41Å; E240-T318 VanDerWaalsContact OE1-CG2 3.22Å; E240-T318 WeakPolarHBondContact OE1-CG2 3.48Å
241	E	96.4	Very high	93.3	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.8	167.1	178.9	-178.8	121.9	0	0	109.3	V269 V270 L271 L301 T318 T319	E241-V269 HydrophobicContact CG-CG1 3.7Å; E241-V270 CarbonylContact C-O 3.52Å; E241-V270 WeakPolarHBondContact CA-O 3.22Å; E241-L271 HydrophobicContact CB-CD2 3.71Å; E241-L271 HydrophobicContact CG-CD2 3.68Å; E241-L301 WeakPolarHBondContact OE1-CD1 3.42Å; E241-L301 WeakPolarHBondContact OE1-CD2 3.14Å; E241-T318 CarbonylContact O-C 3.55Å; E241-T318 WeakPolarHBondContact O-CA 3.49Å; E241-T319 PolarHBondContact N-O 3.04Å; E241-T319 PolarHBondContact O-N 3.13Å
242	I	95.3	Very high	92.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.2	172.2	-51.1	170.5	0	0	0	110	L201 E240 F244 V269 V270 K272 I317 T318	L201-I242 WeakPolarHBondContact O-CD1 3.25Å; E240-I242 HydrophobicContact CG-CG1 4.15Å; E240-I242 VanDerWaalsContact OE2-CD1 3.29Å; E240-I242 WeakPolarHBondContact OE2-CD1 3.48Å; I242-F244 HydrophobicContact CB-CD2 4.31Å; I242-F244 HydrophobicContact CB-CE2 3.64Å; I242-F244 HydrophobicContact CB-CZ 4.16Å; I242-F244 HydrophobicContact CD1-CE2 4.45Å; I242-F244 HydrophobicContact CD1-CZ 4.37Å; I242-F244 HydrophobicContact CG2-CD2 3.83Å; I242-F244 HydrophobicContact CG2-CE1 4.14Å; I242-F244 HydrophobicContact CG2-CE2 3.27Å; I242-F244 HydrophobicContact CG2-CG 4.46Å; I242-F244 HydrophobicContact CG2-CZ 3.44Å; I242-F244 VanDerWaalsContact CG2-CZ 3.44Å; I242-V269 WeakPolarHBondContact O-CA 3.43Å; I242-V270 HydrophobicContact CB-CB 4.43Å; I242-V270 PolarHBondContact N-O 3.21Å; I242-V270 PolarHBondContact O-N 3.24Å; I242-K272 HydrophobicContact CD1-CD 4.23Å; I242-K272 VanDerWaalsContact CD1-NZ 3.27Å; I242-I317 CarbonylContact C-O 3.58Å; I242-I317 WeakPolarHBondContact CA-O 3.21Å; I242-T318 HydrophobicContact CG1-CG2 4.2Å
243	H	94.3	Very high	91.9	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	116.2	168.6	176.7	-141.2	0	0	0	110.4	P245 E267 L301 S316 I317	H243-P245 WeakPolarHBondContact O-CD 3.41Å; H243-E267 IonicContact CE1-OE1 2.61Å; H243-E267 PolarHBondContact CE1-OE1 3.21Å; H243-E267 IonicContact NE2-OE1 2.76Å; H243-E267 PolarHBondContact NE2-OE1 2.87Å; H243-L301 HydrophobicContact CB-CD1 4.2Å; H243-S316 CarbonylContact O-C 3.47Å; H243-S316 VanDerWaalsContact O-CA 3.25Å; H243-S316 WeakPolarHBondContact O-CA 3.05Å; H243-I317 HydrophobicContact CB-CB 4.4Å; H243-I317 PolarHBondContact N-O 2.86Å; H243-I317 PolarHBondContact O-N 3.22Å
244	F	92.2	Very high	91.2	Very high	22 Å²	22	36.9 Å²	36.9	10%	0.096	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	107.8	170.5	-65.7	-90.3	0	0	0	109.6	I242 E267 R268 V270	I242-F244 HydrophobicContact CB-CD2 4.31Å; I242-F244 HydrophobicContact CB-CE2 3.64Å; I242-F244 HydrophobicContact CB-CZ 4.16Å; I242-F244 HydrophobicContact CD1-CE2 4.45Å; I242-F244 HydrophobicContact CD1-CZ 4.37Å; I242-F244 HydrophobicContact CG2-CD2 3.83Å; I242-F244 HydrophobicContact CG2-CE1 4.14Å; I242-F244 HydrophobicContact CG2-CE2 3.27Å; I242-F244 HydrophobicContact CG2-CG 4.46Å; I242-F244 HydrophobicContact CG2-CZ 3.44Å; I242-F244 VanDerWaalsContact CG2-CZ 3.44Å; F244-E267 WeakPolarHBondContact O-CA 3.3Å; F244-R268 HydrophobicContact CB-CG 3.69Å; F244-R268 VanDerWaalsContact CD1-NH2 3.28Å; F244-R268 HydrophobicContact CD2-CG 3.98Å; F244-R268 HydrophobicContact CG-CG 4.17Å; F244-R268 VanDerWaalsContact CG-CZ 3.46Å; F244-R268 PolarHBondContact N-O 3.14Å; F244-R268 PolarHBondContact O-N 3.18Å; F244-V270 HydrophobicContact CD2-CG2 3.77Å; F244-V270 HydrophobicContact CE2-CB 4.07Å; F244-V270 HydrophobicContact CE2-CG2 3.56Å
245	P	88.3	Confident	90.2	Very high	47 Å²	47	40.7 Å²	40.7	31%	0.305	22%	0.216	S	C	.	.			trans	-70.1	137.5	175.2	-9.6	26.5	0	0	0	109.5	H243 R307	H243-P245 WeakPolarHBondContact O-CD 3.41Å; P245-R307 VanDerWaalsContact CG-CZ 3.45Å; P245-R307 VanDerWaalsContact CG-NH2 3.26Å
246	G	86.5	Confident	89.3	Confident	23 Å²	23	33.1 Å²	33.1	24%	0.237	18%	0.184	C	C	.	.			trans	-158.5	-164.7	-176.2	0	0	0	0	0	114	N100 I265	N100-G246 PolarHBondContact ND2-O 3.27Å; G246-I265 CarbonylContact C-O 3.4Å; G246-I265 VanDerWaalsContact CA-O 3.29Å; G246-I265 WeakPolarHBondContact CA-O 3.4Å
247	L	85.5	Confident	88.3	Confident	33 Å²	33	38.6 Å²	38.6	17%	0.173	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-82.6	169.9	171.2	-60	-178.7	0	0	0	110.7	L249 I265 N266 E267	L247-L249 HydrophobicContact CB-CD1 4.27Å; L247-L249 HydrophobicContact CB-CD2 4.05Å; L247-L249 HydrophobicContact CB-CG 3.78Å; L247-L249 HydrophobicContact CD1-CD1 3.96Å; L247-L249 HydrophobicContact CD1-CD2 4.17Å; L247-L249 HydrophobicContact CD1-CG 4.22Å; L247-I265 HydrophobicContact CB-CG2 4.09Å; L247-I265 HydrophobicContact CD1-CG2 3.73Å; L247-I265 HydrophobicContact CG-CG2 4.01Å; L247-I265 PolarHBondContact N-O 3.34Å; L247-N266 CarbonylContact O-C 3.55Å; L247-N266 WeakPolarHBondContact O-CA 3.4Å; L247-N266 PolarHBondContact O-OD1 2.99Å; L247-E267 PolarHBondContact O-N 3.13Å
248	L	86.8	Confident	87.2	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.217	C	C	.	.			trans	-118.4	69.4	173.6	-68.2	177	0	0	0	109	N100 E267 A286 T288 N304	N100-L248 PolarHBondContact OD1-N 3.42Å; N100-L248 VanDerWaalsContact OD1-N 3.08Å; L248-E267 HydrophobicContact CD2-CB 4.04Å; L248-A286 HydrophobicContact CD2-CB 3.42Å; L248-A286 VanDerWaalsContact CD2-CB 3.42Å; L248-T288 WeakPolarHBondContact O-CA 3.42Å; L248-T288 WeakPolarHBondContact O-CG2 3.1Å; L248-T288 PolarHBondContact O-N 3.38Å; L248-N304 HydrophobicContact CD1-CB 4.25Å; L248-N304 WeakPolarHBondContact CD1-ND2 3.38Å
249	L	86	Confident	86.2	Confident	2 Å²	2	41.9 Å²	41.9	1%	0.01	22%	0.219	C	C	.	.			trans	-88.1	162.5	-180	-51.5	-177.2	0	0	0	110.5	Y94 L99 L247 V251 M259 L262 I265 N266 A287 T288	Y94-L249 HydrophobicContact CD1-CD2 4.18Å; Y94-L249 HydrophobicContact CE1-CB 4.19Å; Y94-L249 HydrophobicContact CE1-CD2 3.78Å; Y94-L249 HydrophobicContact CE1-CG 4.43Å; L99-L249 HydrophobicContact CD1-CD2 3.46Å; L99-L249 VanDerWaalsContact CD1-CD2 3.46Å; L247-L249 HydrophobicContact CB-CD1 4.27Å; L247-L249 HydrophobicContact CB-CD2 4.05Å; L247-L249 HydrophobicContact CB-CG 3.78Å; L247-L249 HydrophobicContact CD1-CD1 3.96Å; L247-L249 HydrophobicContact CD1-CD2 4.17Å; L247-L249 HydrophobicContact CD1-CG 4.22Å; L249-V251 PolarHBondContact O-N 3.47Å; L249-M259 HydrophobicContact CB-SD 4.46Å; L249-M259 HydrophobicContact CD1-CE 3.75Å; L249-M259 HydrophobicContact CD1-SD 3.2Å; L249-M259 WeakPolarHBondContact CD1-SD 3.36Å; L249-M259 HydrophobicContact CG-SD 4.42Å; L249-L262 HydrophobicContact CB-CD1 3.54Å; L249-L262 HydrophobicContact CD1-CD1 4.1Å; L249-L262 HydrophobicContact CG-CD1 4.42Å; L249-I265 HydrophobicContact CD1-CG2 3.94Å; L249-N266 VanDerWaalsContact CB-OD1 3.22Å; L249-N266 WeakPolarHBondContact CB-OD1 3.13Å; L249-N266 WeakPolarHBondContact CG-OD1 3.33Å; L249-N266 PolarHBondContact N-OD1 2.95Å; L249-N266 PolarHBondContact O-ND2 3.38Å; L249-A287 VanDerWaalsContact O-CA 3.29Å; L249-A287 WeakPolarHBondContact O-CA 3.22Å; L249-A287 WeakPolarHBondContact O-CB 3.17Å; L249-T288 PolarHBondContact O-N 2.79Å
250	S	86.4	Confident	85.2	Confident	14 Å²	14	40.2 Å²	40.2	10%	0.098	21%	0.212	C	C	.	.			trans	-77.9	124.8	-173.1	-168.7	0	0	0	0	110.2	R252 L262	S250-R252 VanDerWaalsContact C-N 3.31Å; S250-L262 WeakPolarHBondContact O-CD2 3.34Å
251	V	85.8	Confident	84.4	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.203	C	C	.	.			trans	-92	10.4	177.3	-60.2	0	0	0	0	113.2	Y221 L249 L256 L262 F263 A287 T339	Y221-V251 HydrophobicContact CD2-CG2 3.99Å; Y221-V251 HydrophobicContact CE2-CG2 4Å; L249-V251 PolarHBondContact O-N 3.47Å; V251-L256 HydrophobicContact CB-CD2 4.47Å; V251-L256 WeakPolarHBondContact O-CD2 3.46Å; V251-L262 HydrophobicContact CB-CD2 4.49Å; V251-L262 HydrophobicContact CG1-CD2 4.14Å; V251-F263 HydrophobicContact CB-CE1 3.99Å; V251-F263 HydrophobicContact CG1-CD1 4.11Å; V251-F263 HydrophobicContact CG1-CE1 3.79Å; V251-A287 HydrophobicContact CB-CB 4.2Å; V251-A287 HydrophobicContact CG1-CB 3.79Å; V251-A287 HydrophobicContact CG2-CB 3.52Å; V251-T339 WeakPolarHBondContact CB-OG1 3.39Å; V251-T339 VanDerWaalsContact CG2-OG1 3.27Å; V251-T339 WeakPolarHBondContact CG2-OG1 3.33Å
252	R	85.7	Confident	83.8	Confident	115 Å²	115	38.7 Å²	38.7	43%	0.434	21%	0.205	S	C	.	.			trans	-57.9	136	176.7	-79.2	180	179.4	-176.9	0.8	109.9	Y221 S250 A254 F255 L256	Y221-R252 HydrophobicContact CE2-CG 4.35Å; S250-R252 VanDerWaalsContact C-N 3.31Å; R252-A254 PolarHBondContact O-N 2.9Å; R252-A254 VanDerWaalsContact O-N 3.09Å; R252-F255 HydrophobicContact CB-CD2 3.89Å; R252-F255 WeakPolarHBondContact O-CA 3.35Å; R252-F255 PolarHBondContact O-N 2.93Å; R252-L256 PolarHBondContact O-N 3.09Å
253	P	82.7	Confident	83.4	Confident	49 Å²	49	38.9 Å²	38.9	32%	0.318	21%	0.205	S	C	.	.	H	α-helix	trans	-50.3	-41.4	-178.1	-33	39.5	0	0	0	114.5	I177 Y221 F255 L256	I177-P253 HydrophobicContact CD1-CB 4.3Å; I177-P253 HydrophobicContact CD1-CG 3.41Å; I177-P253 VanDerWaalsContact CD1-CG 3.41Å; I177-P253 HydrophobicContact CG1-CG 4.46Å; Y221-P253 HydrophobicContact CD1-CG 4.25Å; Y221-P253 HydrophobicContact CG-CG 4.4Å; P253-F255 PolarHBondContact O-N 3.46Å; P253-F255 VanDerWaalsContact O-N 3.1Å; P253-L256 PolarHBondContact O-N 3.2Å; P253-L256 VanDerWaalsContact O-N 3.13Å
254	A	81.8	Confident	83.1	Confident	88 Å²	88	39.8 Å²	39.8	73%	0.727	21%	0.212	S	C	*	.	H	α-helix	trans	-61.7	-18.9	177.9	0	0	0	0	0	114.7	R252	R252-A254 PolarHBondContact O-N 2.9Å; R252-A254 VanDerWaalsContact O-N 3.09Å
255	F	77.2	Confident	82.7	Confident	79 Å²	79	39.8 Å²	39.8	35%	0.346	21%	0.213	S	C	.	.	H	α-helix	trans	-101.2	-20.1	177.3	-71.6	-92.3	0	0	0	113	R252 P253 H257 R258	R252-F255 HydrophobicContact CB-CD2 3.89Å; R252-F255 WeakPolarHBondContact O-CA 3.35Å; R252-F255 PolarHBondContact O-N 2.93Å; P253-F255 PolarHBondContact O-N 3.46Å; P253-F255 VanDerWaalsContact O-N 3.1Å; F255-H257 PolarHBondContact O-N 3.09Å; F255-R258 PolarHBondContact O-N 3.26Å; F255-R258 VanDerWaalsContact O-N 3.09Å
256	L	78.9	Confident	82.7	Confident	5 Å²	5	37.5 Å²	37.5	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-59.2	-46.4	-174.3	-64	-176.1	0	0	0	112.4	I177 V190 V251 R252 P253 R258 M259 L262 F263	I177-L256 HydrophobicContact CG2-CD1 3.69Å; V190-L256 HydrophobicContact CG2-CB 3.54Å; V190-L256 HydrophobicContact CG2-CD1 4.22Å; V190-L256 HydrophobicContact CG2-CG 4.43Å; V251-L256 HydrophobicContact CB-CD2 4.47Å; V251-L256 WeakPolarHBondContact O-CD2 3.46Å; R252-L256 PolarHBondContact O-N 3.09Å; P253-L256 PolarHBondContact O-N 3.2Å; P253-L256 VanDerWaalsContact O-N 3.13Å; L256-R258 PolarHBondContact O-N 2.79Å; L256-M259 PolarHBondContact O-N 2.61Å; L256-M259 VanDerWaalsContact O-N 3.15Å; L256-L262 HydrophobicContact CD2-CD2 3.19Å; L256-F263 HydrophobicContact CD1-CZ 4.23Å; L256-F263 HydrophobicContact CD2-CE1 3.74Å; L256-F263 HydrophobicContact CD2-CZ 3.88Å
257	H	76.2	Confident	83	Confident	121 Å²	121	36.8 Å²	36.8	56%	0.56	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.6	179.2	-64	-77.4	0	0	0	114.2	V190 F255	V190-H257 HydrophobicContact CG1-CB 4.49Å; V190-H257 WeakPolarHBondContact CG1-CE1 3.43Å; V190-H257 WeakPolarHBondContact CG1-ND1 3.29Å; F255-H257 PolarHBondContact O-N 3.09Å
258	R	76.3	Confident	83.4	Confident	126 Å²	126	35.6 Å²	35.6	48%	0.475	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-11.2	-176.7	-166.2	153.7	62.5	99.7	-2.6	112.6	L91 F255 L256	L91-R258 VanDerWaalsContact CD1-O 3.32Å; L91-R258 WeakPolarHBondContact CD1-O 3.23Å; L91-R258 HydrophobicContact CD2-CG 4.21Å; L91-R258 WeakPolarHBondContact CD2-O 3.28Å; F255-R258 PolarHBondContact O-N 3.26Å; F255-R258 VanDerWaalsContact O-N 3.09Å; L256-R258 PolarHBondContact O-N 2.79Å
259	M	76.8	Confident	83.8	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.039	18%	0.182	C	C	.	.	S	Bend	trans	-131.4	94.7	-178.1	-172.7	167	-77.9	0	0	110.9	L91 Y94 L249 L256 L262 I265	L91-M259 HydrophobicContact CB-CE 4.25Å; L91-M259 HydrophobicContact CD2-CB 4.49Å; L91-M259 HydrophobicContact CD2-CE 3.71Å; L91-M259 HydrophobicContact CG-CE 4.44Å; Y94-M259 HydrophobicContact CD1-CE 4Å; L249-M259 HydrophobicContact CB-SD 4.46Å; L249-M259 HydrophobicContact CD1-CE 3.75Å; L249-M259 HydrophobicContact CD1-SD 3.2Å; L249-M259 WeakPolarHBondContact CD1-SD 3.36Å; L249-M259 HydrophobicContact CG-SD 4.42Å; L256-M259 PolarHBondContact O-N 2.61Å; L256-M259 VanDerWaalsContact O-N 3.15Å; M259-L262 HydrophobicContact CB-CB 4.34Å; M259-L262 HydrophobicContact CB-CD1 4.3Å; M259-L262 HydrophobicContact CG-CB 4.18Å; M259-L262 HydrophobicContact CG-CD1 4.03Å; M259-L262 WeakPolarHBondContact O-CB 3.41Å; M259-L262 PolarHBondContact O-N 3.42Å; M259-L262 HydrophobicContact SD-CD1 3.37Å; M259-L262 WeakPolarHBondContact SD-CD1 3.41Å; M259-I265 HydrophobicContact CG-CD1 4.41Å; M259-I265 HydrophobicContact SD-CD1 4.43Å
260	P	75.2	Confident	84.4	Confident	35 Å²	35	35.5 Å²	35.5	23%	0.227	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	146.6	166.3	-21.9	33.7	0	0	0	110.6	Y195 L262	Y195-P260 WeakPolarHBondContact OH-CA 3.21Å; P260-L262 PolarHBondContact O-N 3.38Å; P260-L262 VanDerWaalsContact O-N 3.17Å
261	H	78.2	Confident	84.9	Confident	26 Å²	26	34.9 Å²	34.9	12%	0.12	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	15.1	178.6	-54.3	-94.4	0	0	0	115.3	H84 Y195 F263 C264 I265	H84-H261 AromaticContact CD2-CD2 3.32Å; H84-H261 PolarHBondContact CD2-CD2 3.46Å; H84-H261 AromaticContact CD2-CE1 3.22Å; H84-H261 PolarHBondContact CD2-CE1 2.97Å; H84-H261 AromaticContact CD2-CG 3.14Å; H84-H261 AromaticContact CD2-ND1 3.04Å; H84-H261 PolarHBondContact CD2-ND1 3.41Å; H84-H261 AromaticContact CD2-NE2 3.42Å; H84-H261 PolarHBondContact CD2-NE2 2.9Å; H84-H261 AromaticContact CE1-CE1 3.55Å; H84-H261 AromaticContact CE1-NE2 3.81Å; H84-H261 AromaticContact CG-CD2 3.59Å; H84-H261 AromaticContact CG-CE1 3.89Å; H84-H261 AromaticContact CG-CG 3.87Å; H84-H261 AromaticContact CG-NE2 3.66Å; H84-H261 AromaticContact ND1-NE2 3.94Å; H84-H261 AromaticContact NE2-CD2 3.9Å; H84-H261 AromaticContact NE2-CE1 2.94Å; H84-H261 PolarHBondContact NE2-CE1 2.92Å; H84-H261 AromaticContact NE2-CG 3.71Å; H84-H261 AromaticContact NE2-ND1 3.08Å; H84-H261 PolarHBondContact NE2-ND1 3.39Å; H84-H261 AromaticContact NE2-NE2 3.51Å; Y195-H261 HydrophobicContact CD1-CB 4.29Å; Y195-H261 AromaticContact CD1-CE1 3.21Å; Y195-H261 WeakPolarHBondContact CD1-CE1 3.33Å; Y195-H261 AromaticContact CD1-CG 3.57Å; Y195-H261 AromaticContact CD1-ND1 2.97Å; Y195-H261 WeakPolarHBondContact CD1-ND1 3.25Å; Y195-H261 AromaticContact CD1-NE2 3.89Å; Y195-H261 HydrophobicContact CE1-CB 3.88Å; Y195-H261 AromaticContact CE1-CD2 3.58Å; Y195-H261 AromaticContact CE1-CE1 3.47Å; Y195-H261 VanDerWaalsContact CE1-CE1 3.47Å; Y195-H261 WeakPolarHBondContact CE1-CE1 3.17Å; Y195-H261 AromaticContact CE1-CG 3.29Å; Y195-H261 AromaticContact CE1-ND1 3.24Å; Y195-H261 WeakPolarHBondContact CE1-ND1 3.36Å; Y195-H261 AromaticContact CE1-NE2 3.66Å; Y195-H261 PolarHBondContact OH-N 2.71Å; H261-F263 VanDerWaalsContact C-N 3.29Å; H261-F263 PolarHBondContact O-N 3.22Å; H261-F263 VanDerWaalsContact O-N 3.12Å; H261-C264 HydrophobicContact CB-CB 4.43Å; H261-C264 WeakPolarHBondContact O-CA 3.44Å; H261-C264 WeakPolarHBondContact O-CB 3.46Å; H261-C264 PolarHBondContact O-N 3.07Å; H261-I265 HydrophobicContact CB-CD1 4.11Å; H261-I265 HydrophobicContact CB-CG1 4.32Å; H261-I265 VanDerWaalsContact O-CG1 3.31Å; H261-I265 WeakPolarHBondContact O-CG1 3.48Å; H261-I265 PolarHBondContact O-N 3.39Å
262	L	84.3	Confident	85.4	Confident	8 Å²	8	35.6 Å²	35.6	4%	0.042	18%	0.18	C	C	.	.	H	α-helix	trans	-47.2	-47.9	-175.1	179.7	74.4	0	0	0	113.5	L249 S250 V251 L256 M259 P260 C264 I265 N266	L249-L262 HydrophobicContact CB-CD1 3.54Å; L249-L262 HydrophobicContact CD1-CD1 4.1Å; L249-L262 HydrophobicContact CG-CD1 4.42Å; S250-L262 WeakPolarHBondContact O-CD2 3.34Å; V251-L262 HydrophobicContact CB-CD2 4.49Å; V251-L262 HydrophobicContact CG1-CD2 4.14Å; L256-L262 HydrophobicContact CD2-CD2 3.19Å; M259-L262 HydrophobicContact CB-CB 4.34Å; M259-L262 HydrophobicContact CB-CD1 4.3Å; M259-L262 HydrophobicContact CG-CB 4.18Å; M259-L262 HydrophobicContact CG-CD1 4.03Å; M259-L262 WeakPolarHBondContact O-CB 3.41Å; M259-L262 PolarHBondContact O-N 3.42Å; M259-L262 HydrophobicContact SD-CD1 3.37Å; M259-L262 WeakPolarHBondContact SD-CD1 3.41Å; P260-L262 PolarHBondContact O-N 3.38Å; P260-L262 VanDerWaalsContact O-N 3.17Å; L262-C264 VanDerWaalsContact C-N 3.32Å; L262-C264 PolarHBondContact O-N 3.25Å; L262-I265 PolarHBondContact O-N 2.9Å; L262-N266 WeakPolarHBondContact O-CB 3.36Å; L262-N266 PolarHBondContact O-N 3.26Å
263	F	87.4	Confident	85.9	Confident	3 Å²	3	30.8 Å²	30.8	1%	0.013	17%	0.166	C	C	.	.	H	α-helix	trans	-71.8	-25.4	-178.1	-59.5	-24.3	0	0	0	113.4	F189 F200 I219 V251 L256 H261 V285 T339 V341	F189-F263 HydrophobicContact CB-CD2 3.71Å; F189-F263 HydrophobicContact CB-CE2 3.66Å; F189-F263 AromaticContact CD1-CD2 3.59Å; F189-F263 HydrophobicContact CD1-CD2 3.59Å; F189-F263 HydrophobicContact CD1-CE2 4.03Å; F189-F263 HydrophobicContact CD2-CB 3.95Å; F189-F263 AromaticContact CD2-CD2 3.46Å; F189-F263 HydrophobicContact CD2-CD2 3.46Å; F189-F263 VanDerWaalsContact CD2-CD2 3.46Å; F189-F263 HydrophobicContact CD2-CE2 4.3Å; F189-F263 HydrophobicContact CD2-CG 4.05Å; F189-F263 AromaticContact CE1-CD2 3.95Å; F189-F263 HydrophobicContact CE1-CD2 3.95Å; F189-F263 HydrophobicContact CE2-CB 3.79Å; F189-F263 AromaticContact CE2-CD2 3.95Å; F189-F263 HydrophobicContact CE2-CD2 3.95Å; F189-F263 HydrophobicContact CE2-CG 4.34Å; F189-F263 AromaticContact CG-CD2 3.31Å; F189-F263 HydrophobicContact CG-CD2 3.31Å; F189-F263 AromaticContact CG-CE2 3.77Å; F189-F263 HydrophobicContact CG-CE2 3.77Å; F189-F263 HydrophobicContact CG-CG 4.32Å; F189-F263 HydrophobicContact CZ-CB 4.22Å; F189-F263 HydrophobicContact CZ-CD2 4.16Å; F200-F263 HydrophobicContact CD2-CB 4.32Å; F200-F263 HydrophobicContact CE2-CB 3.85Å; I219-F263 HydrophobicContact CD1-CE2 4.2Å; I219-F263 HydrophobicContact CG2-CE2 3.87Å; I219-F263 HydrophobicContact CG2-CZ 4.22Å; V251-F263 HydrophobicContact CB-CE1 3.99Å; V251-F263 HydrophobicContact CG1-CD1 4.11Å; V251-F263 HydrophobicContact CG1-CE1 3.79Å; L256-F263 HydrophobicContact CD1-CZ 4.23Å; L256-F263 HydrophobicContact CD2-CE1 3.74Å; L256-F263 HydrophobicContact CD2-CZ 3.88Å; H261-F263 VanDerWaalsContact C-N 3.29Å; H261-F263 PolarHBondContact O-N 3.22Å; H261-F263 VanDerWaalsContact O-N 3.12Å; F263-V285 HydrophobicContact CB-CG1 4.34Å; F263-V285 HydrophobicContact CD1-CG1 4.06Å; F263-V285 HydrophobicContact CG-CG1 4.45Å; F263-T339 HydrophobicContact CE1-CG2 4.29Å; F263-T339 HydrophobicContact CE2-CG2 4.32Å; F263-T339 HydrophobicContact CZ-CG2 3.92Å; F263-V341 HydrophobicContact CD2-CG2 4.35Å
264	C	86.6	Confident	86.6	Confident	27 Å²	27	31 Å²	31	18%	0.182	17%	0.169	C	C	.	.	H	α-helix	trans	-77.1	-29.6	172.6	-59	0	0	0	0	111.9	H261 L262 R268	H261-C264 HydrophobicContact CB-CB 4.43Å; H261-C264 WeakPolarHBondContact O-CA 3.44Å; H261-C264 WeakPolarHBondContact O-CB 3.46Å; H261-C264 PolarHBondContact O-N 3.07Å; L262-C264 VanDerWaalsContact C-N 3.32Å; L262-C264 PolarHBondContact O-N 3.25Å; C264-R268 PolarHBondContact O-NH1 3.43Å
265	I	84.7	Confident	87.2	Confident	22 Å²	22	27.8 Å²	27.8	11%	0.113	14%	0.138	C	C	.	.	H	α-helix	trans	-77.5	-36	177.2	-63.8	160.9	0	0	0	111.1	Y85 G246 L247 L249 M259 H261 L262	Y85-I265 HydrophobicContact CD1-CD1 3.34Å; Y85-I265 HydrophobicContact CD1-CG1 4.11Å; Y85-I265 HydrophobicContact CD2-CD1 4.47Å; Y85-I265 HydrophobicContact CE1-CD1 3.34Å; Y85-I265 HydrophobicContact CE1-CG1 3.66Å; Y85-I265 HydrophobicContact CE2-CD1 4.46Å; Y85-I265 HydrophobicContact CG-CD1 3.9Å; G246-I265 CarbonylContact C-O 3.4Å; G246-I265 VanDerWaalsContact CA-O 3.29Å; G246-I265 WeakPolarHBondContact CA-O 3.4Å; L247-I265 HydrophobicContact CB-CG2 4.09Å; L247-I265 HydrophobicContact CD1-CG2 3.73Å; L247-I265 HydrophobicContact CG-CG2 4.01Å; L247-I265 PolarHBondContact N-O 3.34Å; L249-I265 HydrophobicContact CD1-CG2 3.94Å; M259-I265 HydrophobicContact CG-CD1 4.41Å; M259-I265 HydrophobicContact SD-CD1 4.43Å; H261-I265 HydrophobicContact CB-CD1 4.11Å; H261-I265 HydrophobicContact CB-CG1 4.32Å; H261-I265 VanDerWaalsContact O-CG1 3.31Å; H261-I265 WeakPolarHBondContact O-CG1 3.48Å; H261-I265 PolarHBondContact O-N 3.39Å; L262-I265 PolarHBondContact O-N 2.9Å
266	N	88.8	Confident	88	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-70.4	149.7	-179.2	-86.6	14.9	0	0	0	112.2	L247 L249 L262 R268 V285 A286	L247-N266 CarbonylContact O-C 3.55Å; L247-N266 WeakPolarHBondContact O-CA 3.4Å; L247-N266 PolarHBondContact O-OD1 2.99Å; L249-N266 VanDerWaalsContact CB-OD1 3.22Å; L249-N266 WeakPolarHBondContact CB-OD1 3.13Å; L249-N266 WeakPolarHBondContact CG-OD1 3.33Å; L249-N266 PolarHBondContact N-OD1 2.95Å; L249-N266 PolarHBondContact O-ND2 3.38Å; L262-N266 WeakPolarHBondContact O-CB 3.36Å; L262-N266 PolarHBondContact O-N 3.26Å; N266-R268 PolarHBondContact O-N 3.14Å; N266-V285 HydrophobicContact CB-CG1 3.86Å; N266-A286 PolarHBondContact ND2-O 3.21Å
267	E	91.7	Very high	88.8	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.037	15%	0.151	C	C	.	.			trans	-60.5	133.8	168.2	-177.2	161.6	-160.3	0	0	109.7	H243 F244 L247 L248 A286 T303 N304	H243-E267 IonicContact CE1-OE1 2.61Å; H243-E267 PolarHBondContact CE1-OE1 3.21Å; H243-E267 IonicContact NE2-OE1 2.76Å; H243-E267 PolarHBondContact NE2-OE1 2.87Å; F244-E267 WeakPolarHBondContact O-CA 3.3Å; L247-E267 PolarHBondContact O-N 3.13Å; L248-E267 HydrophobicContact CD2-CB 4.04Å; E267-A286 HydrophobicContact CB-CB 4.42Å; E267-A286 WeakPolarHBondContact O-CB 3.43Å; E267-A286 PolarHBondContact O-N 2.84Å; E267-T303 WeakPolarHBondContact OE1-CA 3.46Å; E267-T303 VanDerWaalsContact OE1-CB 3.3Å; E267-T303 WeakPolarHBondContact OE1-CB 3.22Å; E267-N304 VanDerWaalsContact CD-N 3.3Å; E267-N304 PolarHBondContact OE1-N 2.94Å; E267-N304 WeakPolarHBondContact OE2-CA 3.3Å; E267-N304 PolarHBondContact OE2-N 3.48Å; E267-N304 VanDerWaalsContact OE2-N 3.13Å
268	R	94.3	Very high	89.7	Confident	8 Å²	8	25.7 Å²	25.7	3%	0.03	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.9	-177.8	63.5	-178.6	-175.6	-74.1	1	111.9	D199 F200 F244 C264 N266 V270 A284 V285	D199-R268 PolarHBondContact O-NH2 2.86Å; F200-R268 VanDerWaalsContact CE2-CD 3.45Å; F200-R268 VanDerWaalsContact O-CZ 3.28Å; F200-R268 PolarHBondContact O-NE 2.76Å; F200-R268 PolarHBondContact O-NH2 3.1Å; F244-R268 HydrophobicContact CB-CG 3.69Å; F244-R268 VanDerWaalsContact CD1-NH2 3.28Å; F244-R268 HydrophobicContact CD2-CG 3.98Å; F244-R268 HydrophobicContact CG-CG 4.17Å; F244-R268 VanDerWaalsContact CG-CZ 3.46Å; F244-R268 PolarHBondContact N-O 3.14Å; F244-R268 PolarHBondContact O-N 3.18Å; C264-R268 PolarHBondContact O-NH1 3.43Å; N266-R268 PolarHBondContact O-N 3.14Å; R268-V270 HydrophobicContact CG-CG2 4.42Å; R268-A284 CarbonylContact C-O 3.43Å; R268-A284 WeakPolarHBondContact CA-O 3.44Å; R268-A284 WeakPolarHBondContact CB-O 3.41Å; R268-V285 HydrophobicContact CB-CB 4.37Å; R268-V285 HydrophobicContact CB-CG1 4.47Å; R268-V285 HydrophobicContact CB-CG2 4.07Å
269	V	95.9	Very high	90.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.3	173.1	-176.5	0	0	0	0	107.2	E241 I242 L271 S283 A284 V293 I295 L301 T303	E241-V269 HydrophobicContact CG-CG1 3.7Å; I242-V269 WeakPolarHBondContact O-CA 3.43Å; V269-L271 HydrophobicContact CG1-CD2 4.47Å; V269-S283 CarbonylContact O-C 3.57Å; V269-S283 VanDerWaalsContact O-CA 3.29Å; V269-S283 WeakPolarHBondContact O-CA 3.31Å; V269-A284 PolarHBondContact N-O 3.03Å; V269-A284 PolarHBondContact O-N 2.89Å; V269-V293 HydrophobicContact CG2-CB 4.33Å; V269-V293 HydrophobicContact CG2-CG1 4.18Å; V269-I295 HydrophobicContact CG1-CD1 4.21Å; V269-I295 HydrophobicContact CG1-CG1 3.92Å; V269-L301 HydrophobicContact CB-CD2 4.42Å; V269-L301 HydrophobicContact CG1-CD2 3.82Å; V269-L301 HydrophobicContact CG2-CD2 3.76Å; V269-T303 HydrophobicContact CG2-CG2 3.82Å
270	V	96.8	Very high	91.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.1	-178.9	-179.8	0	0	0	0	108.1	L201 E241 I242 F244 R268 K272	L201-V270 HydrophobicContact CD2-CG1 3.57Å; E241-V270 CarbonylContact C-O 3.52Å; E241-V270 WeakPolarHBondContact CA-O 3.22Å; I242-V270 HydrophobicContact CB-CB 4.43Å; I242-V270 PolarHBondContact N-O 3.21Å; I242-V270 PolarHBondContact O-N 3.24Å; F244-V270 HydrophobicContact CD2-CG2 3.77Å; F244-V270 HydrophobicContact CE2-CB 4.07Å; F244-V270 HydrophobicContact CE2-CG2 3.56Å; R268-V270 HydrophobicContact CG-CG2 4.42Å; V270-K272 HydrophobicContact CG1-CD 4.38Å; V270-K272 HydrophobicContact CG1-CG 3.77Å
271	L	97.7	Very high	92.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	120.3	171.8	-58.3	179.1	0	0	0	108.4	W236 E240 E241 V269 A281 M282 I295 L321 V331	W236-L271 HydrophobicContact CH2-CB 3.36Å; W236-L271 HydrophobicContact CH2-CD1 3.85Å; W236-L271 HydrophobicContact CH2-CG 4.27Å; W236-L271 HydrophobicContact CZ2-CB 3.73Å; W236-L271 WeakPolarHBondContact CZ2-O 3.39Å; W236-L271 HydrophobicContact CZ3-CD1 4.45Å; E240-L271 CarbonylContact O-C 3.55Å; E240-L271 WeakPolarHBondContact O-CA 3.26Å; E241-L271 HydrophobicContact CB-CD2 3.71Å; E241-L271 HydrophobicContact CG-CD2 3.68Å; V269-L271 HydrophobicContact CG1-CD2 4.47Å; L271-A281 CarbonylContact O-C 3.56Å; L271-A281 WeakPolarHBondContact O-CA 3.48Å; L271-M282 HydrophobicContact CD1-CE 4.05Å; L271-M282 PolarHBondContact N-O 3.13Å; L271-M282 PolarHBondContact O-N 2.87Å; L271-I295 HydrophobicContact CD1-CD1 4.15Å; L271-I295 HydrophobicContact CD1-CG2 4.29Å; L271-I295 HydrophobicContact CD2-CG2 4.36Å; L271-L321 HydrophobicContact CD2-CD2 3.83Å; L271-V331 HydrophobicContact CD1-CG1 3.44Å; L271-V331 VanDerWaalsContact CD1-CG1 3.44Å
272	K	96.9	Very high	93.6	Very high	18 Å²	18	18.2 Å²	18.2	8%	0.078	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	149.3	-180	-59.1	-170.6	-54.7	-166.4	0	110.7	P203 V204 N239 E240 I242 V270 F279 A281	P203-K272 PolarHBondContact O-NZ 3.37Å; V204-K272 HydrophobicContact CG2-CD 4.17Å; N239-K272 PolarHBondContact N-O 3.34Å; E240-K272 PolarHBondContact N-O 3.21Å; E240-K272 VanDerWaalsContact N-O 3.08Å; E240-K272 PolarHBondContact O-N 3.3Å; E240-K272 WeakPolarHBondContact OE2-CE 3.19Å; E240-K272 IonicContact OE2-NZ 3.82Å; E240-K272 PolarHBondContact OE2-NZ 2.82Å; I242-K272 HydrophobicContact CD1-CD 4.23Å; I242-K272 VanDerWaalsContact CD1-NZ 3.27Å; V270-K272 HydrophobicContact CG1-CD 4.38Å; V270-K272 HydrophobicContact CG1-CG 3.77Å; K272-F279 HydrophobicContact CB-CE2 4.25Å; K272-F279 HydrophobicContact CD-CE2 4.21Å; K272-F279 HydrophobicContact CD-CZ 4.22Å; K272-F279 HydrophobicContact CG-CE2 4.39Å; K272-F279 HydrophobicContact CG-CZ 4.34Å; K272-A281 HydrophobicContact CG-CB 4.16Å
273	G	96.1	Very high	94.2	Very high	13 Å²	13	17.8 Å²	17.8	13%	0.134	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-132.6	164.6	0	0	0	0	0	110.7	M237 F280	M237-G273 CarbonylContact O-C 3.57Å; M237-G273 WeakPolarHBondContact O-CA 3.36Å; G273-F280 CarbonylContact C-O 3.54Å; G273-F280 PolarHBondContact N-O 3.38Å; G273-F280 PolarHBondContact O-N 3.41Å
274	S	95.9	Very high	94.6	Very high	54 Å²	54	17.8 Å²	17.8	38%	0.378	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.4	-171.7	61.4	0	0	0	0	114.1	W236 M237 G278	W236-S274 VanDerWaalsContact CD1-O 3.26Å; M237-S274 PolarHBondContact N-O 3.06Å; M237-S274 PolarHBondContact O-N 3.47Å; S274-G278 CarbonylContact C-O 3.55Å; S274-G278 WeakPolarHBondContact CA-O 3.4Å; S274-G278 WeakPolarHBondContact CB-O 3.22Å
275	W	96.4	Very high	95	Very high	21 Å²	21	16.5 Å²	16.5	8%	0.08	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	-174.9	175	78.9	-49.1	0	0	0	109.7	D167 L168 A234 W236 H277 G278 F280 F344 E345 A346 F371	D167-W275 HydrophobicContact CB-CZ3 4.43Å; L168-W275 HydrophobicContact CB-CZ3 4.36Å; L168-W275 HydrophobicContact CD1-CZ3 4.36Å; A234-W275 HydrophobicContact CB-CE3 3.81Å; A234-W275 HydrophobicContact CB-CZ3 4.23Å; W236-W275 HydrophobicContact CB-CB 4.35Å; W275-H277 HydrophobicContact CD2-CB 4.5Å; W275-H277 AromaticContact CE2-CD2 3.93Å; W275-H277 AromaticContact CH2-CD2 3.65Å; W275-H277 HydrophobicContact CZ2-CB 3.86Å; W275-H277 AromaticContact CZ2-CD2 3.65Å; W275-H277 AromaticContact CZ3-CD2 3.88Å; W275-H277 PolarHBondContact O-N 2.81Å; W275-G278 PolarHBondContact N-O 3.38Å; W275-G278 PolarHBondContact O-N 3.04Å; W275-G278 VanDerWaalsContact O-N 3.07Å; W275-F280 HydrophobicContact CB-CB 4.04Å; W275-F280 HydrophobicContact CB-CD2 4.07Å; W275-F280 HydrophobicContact CB-CG 4.28Å; W275-F280 AromaticContact CD1-CD2 3.75Å; W275-F280 AromaticContact CD2-CD2 3.71Å; W275-F280 HydrophobicContact CD2-CD2 3.71Å; W275-F280 HydrophobicContact CD2-CE2 4.28Å; W275-F280 AromaticContact CE2-CD2 3.93Å; W275-F280 HydrophobicContact CE3-CD2 4.3Å; W275-F280 HydrophobicContact CE3-CE2 4.46Å; W275-F280 HydrophobicContact CG-CB 3.98Å; W275-F280 AromaticContact CG-CD2 3.59Å; W275-F280 HydrophobicContact CG-CD2 3.59Å; W275-F280 HydrophobicContact CG-CG 4.17Å; W275-F280 AromaticContact NE1-CD2 3.96Å; W275-F344 HydrophobicContact CH2-CD2 4.17Å; W275-F344 HydrophobicContact CH2-CE2 4.48Å; W275-F344 HydrophobicContact CZ2-CB 4.48Å; W275-F344 AromaticContact CZ2-CD2 3.6Å; W275-F344 HydrophobicContact CZ2-CD2 3.6Å; W275-F344 HydrophobicContact CZ2-CE2 4.28Å; W275-F344 HydrophobicContact CZ2-CG 4.37Å; W275-E345 WeakPolarHBondContact CZ2-O 3.25Å; W275-E345 PolarHBondContact NE1-O 3.35Å; W275-A346 HydrophobicContact CZ2-CB 4.12Å; W275-F371 HydrophobicContact CH2-CZ 4.03Å
276	K	94.1	Very high	95.3	Very high	134 Å²	134	15.5 Å²	15.5	58%	0.583	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.5	-30.2	-177.9	177.1	-177.8	162.7	-160.7	0	114	D167	D167-K276 IonicContact OD1-NZ 2.78Å; D167-K276 IonicContact OD2-NZ 3.27Å; D167-K276 PolarHBondContact OD2-NZ 3.27Å
277	H	94.7	Very high	95.3	Very high	13 Å²	13	15.6 Å²	15.6	6%	0.06	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	21.9	-175.4	-54.2	-82.9	0	0	0	114.3	D167 H213 W275 E345 F371	D167-H277 IonicContact OD2-NE2 3.94Å; H213-H277 PolarHBondContact CE1-O 2.85Å; H213-H277 PolarHBondContact ND1-O 3.1Å; W275-H277 HydrophobicContact CD2-CB 4.5Å; W275-H277 AromaticContact CE2-CD2 3.93Å; W275-H277 AromaticContact CH2-CD2 3.65Å; W275-H277 HydrophobicContact CZ2-CB 3.86Å; W275-H277 AromaticContact CZ2-CD2 3.65Å; W275-H277 AromaticContact CZ3-CD2 3.88Å; W275-H277 PolarHBondContact O-N 2.81Å; H277-E345 VanDerWaalsContact CB-O 3.32Å; H277-E345 WeakPolarHBondContact CB-O 3.43Å; H277-E345 VanDerWaalsContact O-CB 3.28Å; H277-E345 WeakPolarHBondContact O-CB 3.42Å; H277-F371 AromaticContact CD2-CE2 3.55Å; H277-F371 AromaticContact CE1-CD2 3.57Å; H277-F371 AromaticContact CE1-CE2 3.39Å; H277-F371 WeakPolarHBondContact CE1-CE2 3.43Å; H277-F371 AromaticContact CG-CE2 3.89Å; H277-F371 AromaticContact ND1-CE2 3.81Å; H277-F371 AromaticContact NE2-CD2 3.83Å; H277-F371 AromaticContact NE2-CE2 3.25Å; H277-F371 WeakPolarHBondContact NE2-CE2 3.5Å
278	G	94.7	Very high	94.7	Very high	13 Å²	13	16.8 Å²	16.8	13%	0.134	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.5	-132.7	174.4	0	0	0	0	0	112.7	S274 W275	S274-G278 CarbonylContact C-O 3.55Å; S274-G278 WeakPolarHBondContact CA-O 3.4Å; S274-G278 WeakPolarHBondContact CB-O 3.22Å; W275-G278 PolarHBondContact N-O 3.38Å; W275-G278 PolarHBondContact O-N 3.04Å; W275-G278 VanDerWaalsContact O-N 3.07Å
279	F	95.5	Very high	93.9	Very high	35 Å²	35	19.8 Å²	19.8	15%	0.154	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	139.9	-178.2	177.5	-100.7	0	0	0	112.8	L201 V204 L215 K272 A281 I343 F344 E345	L201-F279 HydrophobicContact CD1-CE1 3.87Å; L201-F279 HydrophobicContact CD1-CZ 3.89Å; V204-F279 HydrophobicContact CG1-CE2 4.35Å; V204-F279 HydrophobicContact CG1-CZ 4.32Å; V204-F279 HydrophobicContact CG2-CZ 4.3Å; L215-F279 HydrophobicContact CD1-CD1 4.27Å; K272-F279 HydrophobicContact CB-CE2 4.25Å; K272-F279 HydrophobicContact CD-CE2 4.21Å; K272-F279 HydrophobicContact CD-CZ 4.22Å; K272-F279 HydrophobicContact CG-CE2 4.39Å; K272-F279 HydrophobicContact CG-CZ 4.34Å; F279-A281 HydrophobicContact CE1-CB 3.82Å; F279-A281 HydrophobicContact CZ-CB 3.64Å; F279-I343 HydrophobicContact CE1-CG2 4.35Å; F279-F344 WeakPolarHBondContact O-CA 3.38Å; F279-E345 HydrophobicContact CB-CG 3.9Å; F279-E345 WeakPolarHBondContact CB-OE1 3.39Å; F279-E345 PolarHBondContact N-OE2 3.21Å; F279-E345 PolarHBondContact O-N 3.45Å
280	F	96.9	Very high	92.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	134.1	172.4	-162.8	-79	0	0	0	110.7	L168 P233 A234 W236 G273 W275 M282 L342 F344	L168-F280 HydrophobicContact CD1-CE2 3.76Å; L168-F280 HydrophobicContact CD1-CZ 4.03Å; P233-F280 HydrophobicContact CB-CZ 4.36Å; P233-F280 HydrophobicContact CG-CE1 3.68Å; P233-F280 HydrophobicContact CG-CE2 4.45Å; P233-F280 HydrophobicContact CG-CZ 3.35Å; A234-F280 HydrophobicContact CB-CE2 4.4Å; W236-F280 HydrophobicContact CB-CD1 4.48Å; W236-F280 AromaticContact CD1-CD1 3.75Å; W236-F280 AromaticContact CD1-CG 3.86Å; W236-F280 AromaticContact CD2-CD1 3.88Å; W236-F280 HydrophobicContact CD2-CD1 3.88Å; W236-F280 HydrophobicContact CD2-CE1 4.42Å; W236-F280 AromaticContact CE2-CD1 3.9Å; W236-F280 HydrophobicContact CG-CB 4.31Å; W236-F280 AromaticContact CG-CD1 3.8Å; W236-F280 HydrophobicContact CG-CD1 3.8Å; W236-F280 HydrophobicContact CG-CG 4.17Å; W236-F280 AromaticContact NE1-CD1 3.81Å; W236-F280 PolarHBondContact NE1-O 3.17Å; G273-F280 CarbonylContact C-O 3.54Å; G273-F280 PolarHBondContact N-O 3.38Å; G273-F280 PolarHBondContact O-N 3.41Å; W275-F280 HydrophobicContact CB-CB 4.04Å; W275-F280 HydrophobicContact CB-CD2 4.07Å; W275-F280 HydrophobicContact CB-CG 4.28Å; W275-F280 AromaticContact CD1-CD2 3.75Å; W275-F280 AromaticContact CD2-CD2 3.71Å; W275-F280 HydrophobicContact CD2-CD2 3.71Å; W275-F280 HydrophobicContact CD2-CE2 4.28Å; W275-F280 AromaticContact CE2-CD2 3.93Å; W275-F280 HydrophobicContact CE3-CD2 4.3Å; W275-F280 HydrophobicContact CE3-CE2 4.46Å; W275-F280 HydrophobicContact CG-CB 3.98Å; W275-F280 AromaticContact CG-CD2 3.59Å; W275-F280 HydrophobicContact CG-CD2 3.59Å; W275-F280 HydrophobicContact CG-CG 4.17Å; W275-F280 AromaticContact NE1-CD2 3.96Å; F280-M282 HydrophobicContact CE1-CB 4.46Å; F280-L342 HydrophobicContact CE1-CD2 4.34Å; F280-L342 HydrophobicContact CZ-CD2 4.3Å; F280-F344 HydrophobicContact CB-CB 4.49Å; F280-F344 HydrophobicContact CD2-CB 3.31Å; F280-F344 HydrophobicContact CD2-CG 4.13Å; F280-F344 HydrophobicContact CE2-CB 3.55Å; F280-F344 HydrophobicContact CE2-CD1 4.11Å; F280-F344 AromaticContact CE2-CG 3.88Å; F280-F344 HydrophobicContact CE2-CG 3.88Å; F280-F344 HydrophobicContact CG-CB 4.05Å; F280-F344 HydrophobicContact CZ-CB 4.44Å
281	A	97.4	Very high	91.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.7	173	0	0	0	0	0	111.8	L201 L271 K272 F279 L342 I343	L201-A281 HydrophobicContact CD1-CB 4.34Å; L201-A281 HydrophobicContact CD2-CB 3.92Å; L271-A281 CarbonylContact O-C 3.56Å; L271-A281 WeakPolarHBondContact O-CA 3.48Å; K272-A281 HydrophobicContact CG-CB 4.16Å; F279-A281 HydrophobicContact CE1-CB 3.82Å; F279-A281 HydrophobicContact CZ-CB 3.64Å; A281-L342 WeakPolarHBondContact O-CA 3.37Å; A281-I343 PolarHBondContact N-O 3.38Å; A281-I343 PolarHBondContact O-N 3.38Å
282	M	98.1	Very high	90.9	Very high	3 Å²	3	21 Å²	21	2%	0.015	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.1	168.7	-179	176.3	72.4	0	0	109	P171 F230 W236 L271 F280 V331 V340 L342	P171-M282 HydrophobicContact CB-SD 4.19Å; F230-M282 HydrophobicContact CD2-CE 3.6Å; F230-M282 HydrophobicContact CD2-SD 4.19Å; F230-M282 HydrophobicContact CE2-CE 3.83Å; W236-M282 HydrophobicContact CH2-CB 4.25Å; W236-M282 HydrophobicContact CZ3-CB 4.46Å; W236-M282 HydrophobicContact CZ3-CE 4.3Å; L271-M282 HydrophobicContact CD1-CE 4.05Å; L271-M282 PolarHBondContact N-O 3.13Å; L271-M282 PolarHBondContact O-N 2.87Å; F280-M282 HydrophobicContact CE1-CB 4.46Å; M282-V331 HydrophobicContact CE-CB 3.65Å; M282-V331 HydrophobicContact CE-CG1 3.35Å; M282-V331 HydrophobicContact CE-CG2 3.78Å; M282-V340 HydrophobicContact CG-CG1 3.98Å; M282-V340 HydrophobicContact SD-CG1 4.28Å; M282-L342 HydrophobicContact CB-CD2 3.9Å; M282-L342 HydrophobicContact CG-CD2 3.69Å; M282-L342 HydrophobicContact SD-CD2 4.29Å
283	S	97.1	Very high	90.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.8	-179.5	-49.8	0	0	0	0	111	F200 V269 V340 V341	F200-S283 WeakPolarHBondContact CE1-OG 3.22Å; V269-S283 CarbonylContact O-C 3.57Å; V269-S283 VanDerWaalsContact O-CA 3.29Å; V269-S283 WeakPolarHBondContact O-CA 3.31Å; S283-V340 WeakPolarHBondContact O-CA 3.35Å; S283-V341 PolarHBondContact N-O 2.99Å; S283-V341 PolarHBondContact O-N 3.48Å
284	A	96.7	Very high	90.6	Very high	3 Å²	3	20.6 Å²	20.6	3%	0.025	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.1	170.8	0	0	0	0	0	109.1	F230 R268 V269 V293 F334	F230-A284 HydrophobicContact CE1-CB 4.1Å; F230-A284 HydrophobicContact CE2-CB 4.39Å; F230-A284 HydrophobicContact CZ-CB 3.85Å; R268-A284 CarbonylContact C-O 3.43Å; R268-A284 WeakPolarHBondContact CA-O 3.44Å; R268-A284 WeakPolarHBondContact CB-O 3.41Å; V269-A284 PolarHBondContact N-O 3.03Å; V269-A284 PolarHBondContact O-N 2.89Å; A284-V293 HydrophobicContact CB-CG1 3.74Å; A284-F334 HydrophobicContact CB-CE1 3.68Å; A284-F334 HydrophobicContact CB-CE2 4.46Å; A284-F334 HydrophobicContact CB-CZ 3.5Å
285	V	94.3	Very high	90.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.5	-179.2	-174.4	0	0	0	0	109.4	F200 F263 N266 R268 T339 V341	F200-V285 HydrophobicContact CE2-CG2 4.04Å; F200-V285 HydrophobicContact CZ-CG2 4Å; F263-V285 HydrophobicContact CB-CG1 4.34Å; F263-V285 HydrophobicContact CD1-CG1 4.06Å; F263-V285 HydrophobicContact CG-CG1 4.45Å; N266-V285 HydrophobicContact CB-CG1 3.86Å; R268-V285 HydrophobicContact CB-CB 4.37Å; R268-V285 HydrophobicContact CB-CG1 4.47Å; R268-V285 HydrophobicContact CB-CG2 4.07Å; V285-T339 PolarHBondContact N-O 3.28Å; V285-T339 PolarHBondContact O-N 3.09Å; V285-T339 VanDerWaalsContact O-N 3.11Å; V285-V341 HydrophobicContact CG2-CG2 4.17Å
286	A	91.9	Very high	90.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	157	177.9	0	0	0	0	0	111	L248 N266 E267 V290 V293	L248-A286 HydrophobicContact CD2-CB 3.42Å; L248-A286 VanDerWaalsContact CD2-CB 3.42Å; N266-A286 PolarHBondContact ND2-O 3.21Å; E267-A286 HydrophobicContact CB-CB 4.42Å; E267-A286 WeakPolarHBondContact O-CB 3.43Å; E267-A286 PolarHBondContact O-N 2.84Å; A286-V290 HydrophobicContact CB-CB 4.15Å; A286-V290 HydrophobicContact CB-CG1 3.96Å; A286-V290 HydrophobicContact CB-CG2 4.27Å; A286-V293 HydrophobicContact CB-CG2 3.95Å
287	A	87.7	Confident	90.7	Very high	2 Å²	2	16 Å²	16	2%	0.017	10%	0.098	C	C	.	.			trans	-139.8	-172.3	-179.6	0	0	0	0	0	112.1	L249 V251 N289 V290 G337	L249-A287 VanDerWaalsContact O-CA 3.29Å; L249-A287 WeakPolarHBondContact O-CA 3.22Å; L249-A287 WeakPolarHBondContact O-CB 3.17Å; V251-A287 HydrophobicContact CB-CB 4.2Å; V251-A287 HydrophobicContact CG1-CB 3.79Å; V251-A287 HydrophobicContact CG2-CB 3.52Å; A287-N289 PolarHBondContact O-N 2.81Å; A287-V290 HydrophobicContact CB-CG2 4.43Å; A287-V290 VanDerWaalsContact O-CB 3.29Å; A287-V290 WeakPolarHBondContact O-CB 3.22Å; A287-V290 WeakPolarHBondContact O-CG2 3.4Å; A287-V290 PolarHBondContact O-N 2.74Å; A287-V290 VanDerWaalsContact O-N 3.13Å; A287-G337 WeakPolarHBondContact CB-O 3.17Å
288	T	80.1	Confident	90.7	Very high	33 Å²	33	16.4 Å²	16.4	20%	0.202	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	138.4	174.7	49.3	0	0	0	0	111.8	L248 L249 V290	L248-T288 WeakPolarHBondContact O-CA 3.42Å; L248-T288 WeakPolarHBondContact O-CG2 3.1Å; L248-T288 PolarHBondContact O-N 3.38Å; L249-T288 PolarHBondContact O-N 2.79Å; T288-V290 PolarHBondContact O-N 3.4Å
289	N	77.1	Confident	90.5	Very high	71 Å²	71	20.7 Å²	20.7	38%	0.38	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	-2.4	-178.9	-53.2	-33.6	0	0	0	115.2	S103 A106 A287 G291 L336	S103-N289 PolarHBondContact OG-N 3.11Å; A106-N289 HydrophobicContact CB-CB 4.29Å; A287-N289 PolarHBondContact O-N 2.81Å; N289-G291 PolarHBondContact O-N 3.39Å; N289-G291 VanDerWaalsContact O-N 3.14Å; N289-L336 HydrophobicContact CB-CB 4.47Å; N289-L336 HydrophobicContact CB-CD1 4.38Å; N289-L336 WeakPolarHBondContact O-CB 3.3Å; N289-L336 VanDerWaalsContact O-CD1 3.22Å; N289-L336 WeakPolarHBondContact O-CD1 3.09Å
290	V	71.5	Confident	90.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	16%	0.157	C	C	.	.			trans	-62.9	117.9	170.8	-178.6	0	0	0	0	109.1	A286 A287 T288 D292 V293 N304 L336 G337	A286-V290 HydrophobicContact CB-CB 4.15Å; A286-V290 HydrophobicContact CB-CG1 3.96Å; A286-V290 HydrophobicContact CB-CG2 4.27Å; A287-V290 HydrophobicContact CB-CG2 4.43Å; A287-V290 VanDerWaalsContact O-CB 3.29Å; A287-V290 WeakPolarHBondContact O-CB 3.22Å; A287-V290 WeakPolarHBondContact O-CG2 3.4Å; A287-V290 PolarHBondContact O-N 2.74Å; A287-V290 VanDerWaalsContact O-N 3.13Å; T288-V290 PolarHBondContact O-N 3.4Å; V290-D292 WeakPolarHBondContact CG1-O 3.45Å; V290-V293 HydrophobicContact CG1-CG2 4.31Å; V290-N304 PolarHBondContact O-ND2 2.84Å; V290-L336 VanDerWaalsContact CG2-O 3.3Å; V290-L336 WeakPolarHBondContact CG2-O 3.34Å; V290-G337 WeakPolarHBondContact CG2-O 3.14Å
291	G	71.7	Confident	89.8	Confident	16 Å²	16	27 Å²	27	17%	0.165	16%	0.161	C	C	.	.			trans	-70	-53.5	171.6	0	0	0	0	0	110.8	N289 N304	N289-G291 PolarHBondContact O-N 3.39Å; N289-G291 VanDerWaalsContact O-N 3.14Å; G291-N304 WeakPolarHBondContact O-CB 3.44Å; G291-N304 PolarHBondContact O-ND2 2.89Å
292	D	85.1	Confident	89.1	Confident	12 Å²	12	31.8 Å²	31.8	6%	0.064	18%	0.183	C	C	.	.			trans	-155.4	159.1	-175	-158.5	6	0	0	0	111.1	V290 H302 T303 R335	V290-D292 WeakPolarHBondContact CG1-O 3.45Å; D292-H302 IonicContact OD2-ND1 4Å; D292-H302 PolarHBondContact OD2-ND1 3.17Å; D292-T303 VanDerWaalsContact CA-OG1 3.31Å; D292-T303 WeakPolarHBondContact CA-OG1 3.18Å; D292-T303 WeakPolarHBondContact OD1-CA 3.42Å; D292-T303 WeakPolarHBondContact OD1-CB 3.42Å; D292-T303 PolarHBondContact OD1-N 3.19Å; D292-T303 PolarHBondContact OD1-OG1 3.33Å; D292-R335 HydrophobicContact CB-CG 4.22Å; D292-R335 PolarHBondContact O-N 2.86Å
293	V	92.2	Very high	88.4	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.6	164.7	-176.5	0	0	0	0	106.2	F230 V269 A284 A286 V290 T303 F334	F230-V293 HydrophobicContact CE1-CG1 4.39Å; F230-V293 HydrophobicContact CZ-CG1 4.29Å; V269-V293 HydrophobicContact CG2-CB 4.33Å; V269-V293 HydrophobicContact CG2-CG1 4.18Å; A284-V293 HydrophobicContact CB-CG1 3.74Å; A286-V293 HydrophobicContact CB-CG2 3.95Å; V290-V293 HydrophobicContact CG1-CG2 4.31Å; V293-T303 HydrophobicContact CB-CG2 3.91Å; V293-T303 HydrophobicContact CG2-CG2 4.36Å; V293-T303 PolarHBondContact N-OG1 3.46Å; V293-F334 HydrophobicContact CG1-CD1 4.38Å; V293-F334 HydrophobicContact CG1-CE1 4.33Å; V293-F334 HydrophobicContact CG2-CD1 3.8Å; V293-F334 HydrophobicContact CG2-CE1 4.02Å
294	S	93.5	Very high	87.7	Confident	22 Å²	22	32.5 Å²	32.5	15%	0.154	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.6	175	55.5	0	0	0	0	110.5	G332 E333	S294-G332 WeakPolarHBondContact O-CA 3.43Å; S294-E333 PolarHBondContact N-O 3.17Å; S294-E333 VanDerWaalsContact N-O 3.09Å; S294-E333 PolarHBondContact O-N 2.94Å; S294-E333 VanDerWaalsContact O-N 3.1Å; S294-E333 WeakPolarHBondContact OG-CG 3.46Å
295	I	96.1	Very high	86.8	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.3	169.4	-58.4	-55.1	0	0	0	107.1	F230 V269 L271 A297 D298 L301 L321	F230-I295 HydrophobicContact CE2-CD1 3.93Å; F230-I295 HydrophobicContact CZ-CD1 3.73Å; V269-I295 HydrophobicContact CG1-CD1 4.21Å; V269-I295 HydrophobicContact CG1-CG1 3.92Å; L271-I295 HydrophobicContact CD1-CD1 4.15Å; L271-I295 HydrophobicContact CD1-CG2 4.29Å; L271-I295 HydrophobicContact CD2-CG2 4.36Å; I295-A297 HydrophobicContact CG2-CB 4.32Å; I295-A297 PolarHBondContact O-N 3.2Å; I295-D298 CarbonylContact O-C 3.15Å; I295-D298 PolarHBondContact O-N 3.48Å; I295-D298 VanDerWaalsContact O-O 3.07Å; I295-L301 HydrophobicContact CB-CD2 4.27Å; I295-L301 HydrophobicContact CG1-CD2 3.61Å; I295-L321 HydrophobicContact CG2-CD2 4.5Å
296	D	95.8	Very high	85.6	Confident	79 Å²	79	45 Å²	45	42%	0.422	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.3	-173.5	-72.4	1.9	0	0	0	111.6	K330 V331	D296-K330 WeakPolarHBondContact OD2-CD 3.44Å; D296-K330 WeakPolarHBondContact OD2-CG 3.31Å; D296-V331 PolarHBondContact N-O 3.23Å
297	A	95.6	Very high	84.3	Confident	30 Å²	30	50.2 Å²	50.2	25%	0.248	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17	175.5	0	0	0	0	0	114.1	I295 L321 H323 Y325	I295-A297 HydrophobicContact CG2-CB 4.32Å; I295-A297 PolarHBondContact O-N 3.2Å; A297-L321 HydrophobicContact CB-CD1 3.71Å; A297-L321 HydrophobicContact CB-CD2 4.1Å; A297-L321 HydrophobicContact CB-CG 4.08Å; A297-H323 HydrophobicContact CB-CB 3.98Å; A297-Y325 WeakPolarHBondContact CB-OH 3.48Å
298	D	94.8	Very high	82.8	Confident	22 Å²	22	56.6 Å²	56.6	12%	0.118	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-126.5	83.2	169.9	-174.3	2.8	0	0	0	111.1	I295 L300 L301 L321	I295-D298 CarbonylContact O-C 3.15Å; I295-D298 PolarHBondContact O-N 3.48Å; I295-D298 VanDerWaalsContact O-O 3.07Å; D298-L300 PolarHBondContact O-N 3.25Å; D298-L300 VanDerWaalsContact O-N 3.1Å; D298-L300 WeakPolarHBondContact OD1-CB 3.49Å; D298-L300 PolarHBondContact OD1-N 3.08Å; D298-L301 HydrophobicContact CB-CB 4.3Å; D298-L301 WeakPolarHBondContact O-CB 3.38Å; D298-L301 PolarHBondContact O-N 3.15Å; D298-L301 VanDerWaalsContact O-N 3.14Å; D298-L301 PolarHBondContact OD1-N 3.25Å; D298-L321 HydrophobicContact CB-CD1 3.91Å
299	P	90.5	Very high	81.5	Confident	102 Å²	102	66.7 Å²	66.7	66%	0.662	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.1	177.1	-22.5	34.2	0	0	0	114.6
300	L	89.2	Confident	80.3	Confident	152 Å²	152	72.2 Å²	72.2	80%	0.796	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-13.5	178.8	-59.5	178	0	0	0	112.1	D298 H302	D298-L300 PolarHBondContact O-N 3.25Å; D298-L300 VanDerWaalsContact O-N 3.1Å; D298-L300 WeakPolarHBondContact OD1-CB 3.49Å; D298-L300 PolarHBondContact OD1-N 3.08Å; L300-H302 PolarHBondContact O-N 3.46Å
301	L	89.4	Confident	79.2	Confident	16 Å²	16	79.9 Å²	79.9	8%	0.084	39%	0.386	C	S	.	.			trans	-66.8	123.4	174.9	-178.3	67	0	0	0	110.5	E241 H243 V269 I295 D298	E241-L301 WeakPolarHBondContact OE1-CD1 3.42Å; E241-L301 WeakPolarHBondContact OE1-CD2 3.14Å; H243-L301 HydrophobicContact CB-CD1 4.2Å; V269-L301 HydrophobicContact CB-CD2 4.42Å; V269-L301 HydrophobicContact CG1-CD2 3.82Å; V269-L301 HydrophobicContact CG2-CD2 3.76Å; I295-L301 HydrophobicContact CB-CD2 4.27Å; I295-L301 HydrophobicContact CG1-CD2 3.61Å; D298-L301 HydrophobicContact CB-CB 4.3Å; D298-L301 WeakPolarHBondContact O-CB 3.38Å; D298-L301 PolarHBondContact O-N 3.15Å; D298-L301 VanDerWaalsContact O-N 3.14Å; D298-L301 PolarHBondContact OD1-N 3.25Å
302	H	83.2	Confident	78.4	Confident	101 Å²	101	83 Å²	83	47%	0.468	41%	0.41	S	S	.	.			trans	-131.7	126.2	167.6	-70	-56.1	0	0	0	109.6	D292 L300 I305	D292-H302 IonicContact OD2-ND1 4Å; D292-H302 PolarHBondContact OD2-ND1 3.17Å; L300-H302 PolarHBondContact O-N 3.46Å; H302-I305 HydrophobicContact CB-CD1 3.79Å; H302-I305 HydrophobicContact CB-CG1 3.99Å; H302-I305 VanDerWaalsContact O-CD1 3.22Å; H302-I305 WeakPolarHBondContact O-CD1 3.46Å; H302-I305 WeakPolarHBondContact O-CG1 3.39Å
303	T	83.9	Confident	76.9	Confident	7 Å²	7	87.4 Å²	87.4	4%	0.043	44%	0.439	C	S	.	.			trans	-95.4	170.1	175.4	67.3	0	0	0	0	110.9	E267 V269 D292 V293 I305	E267-T303 WeakPolarHBondContact OE1-CA 3.46Å; E267-T303 VanDerWaalsContact OE1-CB 3.3Å; E267-T303 WeakPolarHBondContact OE1-CB 3.22Å; V269-T303 HydrophobicContact CG2-CG2 3.82Å; D292-T303 VanDerWaalsContact CA-OG1 3.31Å; D292-T303 WeakPolarHBondContact CA-OG1 3.18Å; D292-T303 WeakPolarHBondContact OD1-CA 3.42Å; D292-T303 WeakPolarHBondContact OD1-CB 3.42Å; D292-T303 PolarHBondContact OD1-N 3.19Å; D292-T303 PolarHBondContact OD1-OG1 3.33Å; V293-T303 HydrophobicContact CB-CG2 3.91Å; V293-T303 HydrophobicContact CG2-CG2 4.36Å; V293-T303 PolarHBondContact N-OG1 3.46Å; T303-I305 PolarHBondContact O-N 3.44Å
304	N	80.5	Confident	75	Confident	10 Å²	10	93.3 Å²	93.3	5%	0.053	47%	0.465	C	S	.	.	S	Bend	trans	55.1	28.9	178.2	-164	14.2	0	0	0	114.3	R104 L248 E267 V290 G291	R104-N304 VanDerWaalsContact CD-O 3.3Å; R104-N304 WeakPolarHBondContact CD-O 3.41Å; R104-N304 WeakPolarHBondContact CG-ND2 3.31Å; R104-N304 WeakPolarHBondContact CG-OD1 3.38Å; L248-N304 HydrophobicContact CD1-CB 4.25Å; L248-N304 WeakPolarHBondContact CD1-ND2 3.38Å; E267-N304 VanDerWaalsContact CD-N 3.3Å; E267-N304 PolarHBondContact OE1-N 2.94Å; E267-N304 WeakPolarHBondContact OE2-CA 3.3Å; E267-N304 PolarHBondContact OE2-N 3.48Å; E267-N304 VanDerWaalsContact OE2-N 3.13Å; V290-N304 PolarHBondContact O-ND2 2.84Å; G291-N304 WeakPolarHBondContact O-CB 3.44Å; G291-N304 PolarHBondContact O-ND2 2.89Å
305	I	77.9	Confident	74.3	Confident	103 Å²	103	96.1 Å²	96.1	53%	0.528	49%	0.489	S	S	.	.			trans	-70.9	138	178.2	-53.9	176	0	0	0	110.4	H302 T303 R307	H302-I305 HydrophobicContact CB-CD1 3.79Å; H302-I305 HydrophobicContact CB-CG1 3.99Å; H302-I305 VanDerWaalsContact O-CD1 3.22Å; H302-I305 WeakPolarHBondContact O-CD1 3.46Å; H302-I305 WeakPolarHBondContact O-CG1 3.39Å; T303-I305 PolarHBondContact O-N 3.44Å; I305-R307 PolarHBondContact O-N 3.38Å
306	K	69.6	Low	73.7	Confident	164 Å²	164	98 Å²	98	71%	0.713	50%	0.503	S	S	*	.			trans	-65.2	94.8	172.1	-171.3	-178.4	-178.6	-178.3	0	110.7	L308	K306-L308 PolarHBondContact O-N 3.45Å
307	R	64.9	Low	73.4	Confident	108 Å²	108	97.1 Å²	97.1	41%	0.408	50%	0.498	S	S	.	.			trans	-76	120	175.8	-63.8	179.4	-179.3	-158.5	-4.6	110.1	P245 I305 R309	P245-R307 VanDerWaalsContact CG-CZ 3.45Å; P245-R307 VanDerWaalsContact CG-NH2 3.26Å; I305-R307 PolarHBondContact O-N 3.38Å; R307-R309 PolarHBondContact O-N 2.84Å
308	L	55.3	Low	73.2	Confident	136 Å²	136	99.2 Å²	99.2	71%	0.712	51%	0.507	S	S	*	.			trans	-61.4	125	165	-97	110.3	0	0	0	107.8	K306 K310	K306-L308 PolarHBondContact O-N 3.45Å; L308-K310 HydrophobicContact CD2-CD 4.43Å; L308-K310 PolarHBondContact O-N 3.3Å
309	R	53.6	Low	73.1	Confident	246 Å²	246	100.7 Å²	100.7	93%	0.928	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	14	179.5	-154.2	-174.8	132.1	128.4	2.4	115.1	R307	R307-R309 PolarHBondContact O-N 2.84Å
310	K	52.7	Low	73.3	Confident	186 Å²	186	103 Å²	103	81%	0.809	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-20.1	-176.9	-76	-169.6	177.9	-178.9	0	113.8	L308	L308-K310 HydrophobicContact CD2-CD 4.43Å; L308-K310 PolarHBondContact O-N 3.3Å
311	K	48.5	Very low	73.4	Confident	163 Å²	163	97 Å²	97	71%	0.709	49%	0.488	S	S	*	.	S	Bend	trans	-109.6	142.3	171.7	-69.4	-175.2	176.5	-176.5	0	107.9
312	A	53.9	Low	73.6	Confident	82 Å²	82	102.9 Å²	102.9	68%	0.678	52%	0.515	S	S	*	.			trans	-42.8	147.2	166.5	0	0	0	0	0	109	K314	A312-K314 PolarHBondContact O-N 2.9Å
313	P	53.9	Low	74.3	Confident	104 Å²	104	101.6 Å²	101.6	68%	0.675	51%	0.509	S	S	*	.			trans	-47.6	109.8	174.7	19.8	-29.9	0	0	0	106.8	W76 A315	W76-P313 HydrophobicContact CH2-CG 4.3Å; P313-A315 PolarHBondContact O-N 3.34Å; P313-A315 VanDerWaalsContact O-N 3.09Å
314	K	53.3	Low	75	Confident	123 Å²	123	104.5 Å²	104.5	54%	0.535	53%	0.534	S	S	.	.			trans	-55.5	127	177.9	-83.8	-173.6	171.7	-171.3	0	104.6	A312 I317	A312-K314 PolarHBondContact O-N 2.9Å; K314-I317 HydrophobicContact CD-CD1 4.37Å
315	A	77.4	Confident	75.8	Confident	81 Å²	81	104.3 Å²	104.3	67%	0.669	53%	0.532	S	S	*	.			trans	-45.4	163	161.2	0	0	0	0	0	109.6	P313 I317	P313-A315 PolarHBondContact O-N 3.34Å; P313-A315 VanDerWaalsContact O-N 3.09Å; A315-I317 PolarHBondContact O-N 3.26Å
316	S	84.1	Confident	76.8	Confident	44 Å²	44	108.1 Å²	108.1	31%	0.308	54%	0.54	S	S	.	.			trans	-41.7	136	172.9	52.1	0	0	0	0	111.4	H243	H243-S316 CarbonylContact O-C 3.47Å; H243-S316 VanDerWaalsContact O-CA 3.25Å; H243-S316 WeakPolarHBondContact O-CA 3.05Å
317	I	88.9	Confident	78.1	Confident	60 Å²	60	102.5 Å²	102.5	31%	0.308	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.9	177.9	-60.8	171	0	0	0	106.5	I242 H243 K314 A315	I242-I317 CarbonylContact C-O 3.58Å; I242-I317 WeakPolarHBondContact CA-O 3.21Å; H243-I317 HydrophobicContact CB-CB 4.4Å; H243-I317 PolarHBondContact N-O 2.86Å; H243-I317 PolarHBondContact O-N 3.22Å; K314-I317 HydrophobicContact CD-CD1 4.37Å; A315-I317 PolarHBondContact O-N 3.26Å
318	T	91.9	Very high	79.6	Confident	74 Å²	74	98.1 Å²	98.1	45%	0.454	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.6	177.1	-58.6	0	0	0	0	109.3	E240 E241 I242	E240-T318 HydrophobicContact CG-CG2 3.41Å; E240-T318 VanDerWaalsContact CG-CG2 3.41Å; E240-T318 VanDerWaalsContact OE1-CG2 3.22Å; E240-T318 WeakPolarHBondContact OE1-CG2 3.48Å; E241-T318 CarbonylContact O-C 3.55Å; E241-T318 WeakPolarHBondContact O-CA 3.49Å; I242-T318 HydrophobicContact CG1-CG2 4.2Å
319	T	93.5	Very high	81.6	Confident	52 Å²	52	94.7 Å²	94.7	32%	0.319	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.9	179	-53.4	0	0	0	0	108.7	E241	E241-T319 PolarHBondContact N-O 3.04Å; E241-T319 PolarHBondContact O-N 3.13Å
320	E	94.1	Very high	83.7	Confident	151 Å²	151	86.3 Å²	86.3	71%	0.706	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.9	171	-174	170.3	-154.5	0	0	109.2	E322	E320-E322 HydrophobicContact CG-CG 4.22Å
321	L	91.2	Very high	85.8	Confident	27 Å²	27	77.5 Å²	77.5	14%	0.141	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-34.9	-171.4	-171.1	68	0	0	0	113.5	A238 N239 L271 I295 A297 D298 H323	A238-L321 HydrophobicContact CB-CD2 4.14Å; N239-L321 PolarHBondContact O-N 3.46Å; L271-L321 HydrophobicContact CD2-CD2 3.83Å; I295-L321 HydrophobicContact CG2-CD2 4.5Å; A297-L321 HydrophobicContact CB-CD1 3.71Å; A297-L321 HydrophobicContact CB-CD2 4.1Å; A297-L321 HydrophobicContact CB-CG 4.08Å; D298-L321 HydrophobicContact CB-CD1 3.91Å; L321-H323 HydrophobicContact CD2-CB 4.43Å; L321-H323 HydrophobicContact CG-CB 4.17Å; L321-H323 PolarHBondContact O-N 3.49Å
322	E	93.2	Very high	88.1	Confident	138 Å²	138	69.7 Å²	69.7	65%	0.645	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	31.1	67.8	-174.7	-65.3	-160.8	148.4	0	0	114.9	A238 E320	A238-E322 CarbonylContact O-C 3.53Å; A238-E322 VanDerWaalsContact O-CA 3.23Å; A238-E322 WeakPolarHBondContact O-CA 3.49Å; A238-E322 PolarHBondContact O-N 2.69Å; E320-E322 HydrophobicContact CG-CG 4.22Å
323	H	97.7	Very high	90	Very high	74 Å²	74	67.2 Å²	67.2	34%	0.343	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.3	-177.7	-164.9	91.9	0	0	0	113.8	M237 A238 A297 L321 Y325	M237-H323 WeakPolarHBondContact CE-O 3.08Å; A238-H323 PolarHBondContact N-O 3.48Å; A238-H323 PolarHBondContact O-N 3.47Å; A297-H323 HydrophobicContact CB-CB 3.98Å; L321-H323 HydrophobicContact CD2-CB 4.43Å; L321-H323 HydrophobicContact CG-CB 4.17Å; L321-H323 PolarHBondContact O-N 3.49Å; H323-Y325 HydrophobicContact CB-CE2 4.21Å; H323-Y325 AromaticContact CD2-CD1 3.71Å; H323-Y325 AromaticContact CD2-CD2 3.93Å; H323-Y325 AromaticContact CD2-CE1 3.3Å; H323-Y325 WeakPolarHBondContact CD2-CE1 3.32Å; H323-Y325 AromaticContact CD2-CE2 3.55Å; H323-Y325 AromaticContact CD2-CZ 3.2Å; H323-Y325 AromaticContact CG-CZ 3.98Å; H323-Y325 AromaticContact NE2-CE1 3.6Å; H323-Y325 AromaticContact NE2-CZ 3.94Å
324	A	98.2	Very high	91.8	Very high	69 Å²	69	62.2 Å²	62.2	57%	0.57	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	120.5	-175.2	0	0	0	0	0	110.8	M237	M237-A324 HydrophobicContact CE-CB 3.85Å; M237-A324 VanDerWaalsContact CE-N 3.25Å; M237-A324 HydrophobicContact SD-CB 3.8Å
325	Y	98.4	Very high	93.2	Very high	6 Å²	6	60.7 Å²	60.7	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	148.2	-179.9	-66.5	-75.5	0	0	0	112.6	A232 K235 W236 A238 A297 H323 D329 V331	A232-Y325 HydrophobicContact CB-CD1 4.23Å; A232-Y325 HydrophobicContact CB-CG 4.02Å; K235-Y325 WeakPolarHBondContact CA-O 2.87Å; W236-Y325 HydrophobicContact CD2-CD2 4.49Å; W236-Y325 AromaticContact CE3-CD2 3.64Å; W236-Y325 HydrophobicContact CE3-CD2 3.64Å; W236-Y325 HydrophobicContact CE3-CE2 4.33Å; W236-Y325 HydrophobicContact CE3-CG 4.34Å; W236-Y325 HydrophobicContact CH2-CD2 4.48Å; W236-Y325 HydrophobicContact CH2-CE2 4.42Å; W236-Y325 AromaticContact CZ3-CD2 3.64Å; W236-Y325 HydrophobicContact CZ3-CD2 3.64Å; W236-Y325 AromaticContact CZ3-CE2 3.87Å; W236-Y325 HydrophobicContact CZ3-CE2 3.87Å; W236-Y325 PolarHBondContact N-O 2.76Å; W236-Y325 VanDerWaalsContact N-O 3.11Å; W236-Y325 PolarHBondContact O-N 3.41Å; A238-Y325 HydrophobicContact CB-CD2 4.17Å; A238-Y325 HydrophobicContact CB-CE2 3.81Å; A297-Y325 WeakPolarHBondContact CB-OH 3.48Å; H323-Y325 HydrophobicContact CB-CE2 4.21Å; H323-Y325 AromaticContact CD2-CD1 3.71Å; H323-Y325 AromaticContact CD2-CD2 3.93Å; H323-Y325 AromaticContact CD2-CE1 3.3Å; H323-Y325 WeakPolarHBondContact CD2-CE1 3.32Å; H323-Y325 AromaticContact CD2-CE2 3.55Å; H323-Y325 AromaticContact CD2-CZ 3.2Å; H323-Y325 AromaticContact CG-CZ 3.98Å; H323-Y325 AromaticContact NE2-CE1 3.6Å; H323-Y325 AromaticContact NE2-CZ 3.94Å; Y325-D329 HydrophobicContact CD1-CB 4.02Å; Y325-V331 HydrophobicContact CD1-CG2 3.9Å; Y325-V331 HydrophobicContact CE1-CB 4.26Å; Y325-V331 HydrophobicContact CE1-CG1 4.32Å; Y325-V331 HydrophobicContact CE1-CG2 3.73Å; Y325-V331 HydrophobicContact CE2-CG1 4.37Å; Y325-V331 HydrophobicContact CE2-CG2 4.42Å; Y325-V331 HydrophobicContact CG-CG2 4.33Å
326	R	97.9	Very high	92.9	Very high	183 Å²	183	58 Å²	58	69%	0.691	30%	0.297	S	S	*	.			trans	-106	153.7	164.9	-61.7	179.3	175.7	-176.2	-1	110.1	A232 G328 D329	A232-R326 WeakPolarHBondContact CB-O 3.26Å; R326-G328 PolarHBondContact O-N 2.93Å; R326-D329 WeakPolarHBondContact CB-OD2 3.23Å; R326-D329 PolarHBondContact N-OD2 3.04Å; R326-D329 WeakPolarHBondContact O-CB 3.38Å; R326-D329 PolarHBondContact O-N 3.21Å
327	P	97	Very high	92.3	Very high	46 Å²	46	56.6 Å²	56.6	30%	0.299	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	126	175.7	-23.9	32.3	0	0	0	111.7	I163 V169 A232	I163-P327 HydrophobicContact CG2-CB 3.85Å; V169-P327 HydrophobicContact CG2-CB 4.3Å; A232-P327 WeakPolarHBondContact O-CA 3.26Å
328	G	96.7	Very high	92.1	Very high	16 Å²	16	53.8 Å²	53.8	17%	0.165	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-10.1	-179.1	0	0	0	0	0	116	H231 A232 R326 K330	H231-G328 PolarHBondContact ND1-O 2.84Å; A232-G328 PolarHBondContact O-N 3.15Å; R326-G328 PolarHBondContact O-N 2.93Å; G328-K330 PolarHBondContact O-N 3.48Å
329	D	97.5	Very high	92.2	Very high	64 Å²	64	50.2 Å²	50.2	34%	0.342	25%	0.252	S	S	.	.			trans	-60	137.9	172.5	-71.2	-13.1	0	0	0	109.9	H231 A232 Y325 R326 V331	H231-D329 CarbonylContact C-O 3.52Å; H231-D329 WeakPolarHBondContact CA-O 3.45Å; H231-D329 WeakPolarHBondContact CB-O 3.39Å; A232-D329 HydrophobicContact CB-CB 4.36Å; A232-D329 PolarHBondContact N-O 3.19Å; Y325-D329 HydrophobicContact CD1-CB 4.02Å; R326-D329 WeakPolarHBondContact CB-OD2 3.23Å; R326-D329 PolarHBondContact N-OD2 3.04Å; R326-D329 WeakPolarHBondContact O-CB 3.38Å; R326-D329 PolarHBondContact O-N 3.21Å; D329-V331 PolarHBondContact O-N 3.43Å
330	K	97.3	Very high	92.4	Very high	70 Å²	70	47.8 Å²	47.8	30%	0.304	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127.6	176.1	-167.7	178.4	178.3	-174.3	0	108.8	H231 D296 G328 E333	H231-K330 WeakPolarHBondContact ND1-CA 3.37Å; D296-K330 WeakPolarHBondContact OD2-CD 3.44Å; D296-K330 WeakPolarHBondContact OD2-CG 3.31Å; G328-K330 PolarHBondContact O-N 3.48Å; K330-E333 IonicContact NZ-OE2 3.18Å; K330-E333 PolarHBondContact NZ-OE2 3.13Å
331	V	97.9	Very high	92.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-36	177.4	-179	0	0	0	0	110.6	F230 A232 L271 M282 D296 Y325 D329	F230-V331 HydrophobicContact CD2-CB 3.94Å; F230-V331 HydrophobicContact CD2-CG1 4.29Å; F230-V331 HydrophobicContact CE2-CB 3.99Å; F230-V331 HydrophobicContact CE2-CG1 3.91Å; F230-V331 PolarHBondContact O-N 3.21Å; A232-V331 HydrophobicContact CB-CG2 3.86Å; L271-V331 HydrophobicContact CD1-CG1 3.44Å; L271-V331 VanDerWaalsContact CD1-CG1 3.44Å; M282-V331 HydrophobicContact CE-CB 3.65Å; M282-V331 HydrophobicContact CE-CG1 3.35Å; M282-V331 HydrophobicContact CE-CG2 3.78Å; D296-V331 PolarHBondContact N-O 3.23Å; Y325-V331 HydrophobicContact CD1-CG2 3.9Å; Y325-V331 HydrophobicContact CE1-CB 4.26Å; Y325-V331 HydrophobicContact CE1-CG1 4.32Å; Y325-V331 HydrophobicContact CE1-CG2 3.73Å; Y325-V331 HydrophobicContact CE2-CG1 4.37Å; Y325-V331 HydrophobicContact CE2-CG2 4.42Å; Y325-V331 HydrophobicContact CG-CG2 4.33Å; D329-V331 PolarHBondContact O-N 3.43Å
332	G	96.1	Very high	92.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	-167.8	-179.4	0	0	0	0	0	112.6	G229 F230 S294	G229-G332 WeakPolarHBondContact CA-O 3.27Å; F230-G332 VanDerWaalsContact CE1-C 3.45Å; F230-G332 PolarHBondContact N-O 3.1Å; F230-G332 PolarHBondContact O-N 3.43Å; S294-G332 WeakPolarHBondContact O-CA 3.43Å
333	E	94.9	Very high	92.9	Very high	29 Å²	29	32.8 Å²	32.8	14%	0.136	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	153.5	178.6	59	-178.9	-142.9	0	0	112.4	N153 H228 F230 S294 K330	N153-E333 PolarHBondContact ND2-OE1 3.5Å; H228-E333 WeakPolarHBondContact O-CA 3.5Å; F230-E333 VanDerWaalsContact CE1-N 3.3Å; S294-E333 PolarHBondContact N-O 3.17Å; S294-E333 VanDerWaalsContact N-O 3.09Å; S294-E333 PolarHBondContact O-N 2.94Å; S294-E333 VanDerWaalsContact O-N 3.1Å; S294-E333 WeakPolarHBondContact OG-CG 3.46Å; K330-E333 IonicContact NZ-OE2 3.18Å; K330-E333 PolarHBondContact NZ-OE2 3.13Å
334	F	91.6	Very high	92.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	137.2	167.9	-59.2	-88.7	0	0	0	109.7	N153 L222 H228 F230 A284 V293 L336 S338 V340	N153-F334 PolarHBondContact ND2-O 3.42Å; L222-F334 HydrophobicContact CD2-CD2 4.12Å; L222-F334 HydrophobicContact CD2-CE2 4.19Å; H228-F334 PolarHBondContact O-N 2.98Å; F230-F334 AromaticContact CD1-CD2 3.57Å; F230-F334 HydrophobicContact CD1-CD2 3.57Å; F230-F334 AromaticContact CD1-CE2 3.33Å; F230-F334 HydrophobicContact CD1-CE2 3.33Å; F230-F334 HydrophobicContact CD1-CZ 4.12Å; F230-F334 AromaticContact CE1-CD2 3.81Å; F230-F334 HydrophobicContact CE1-CD2 3.81Å; F230-F334 AromaticContact CE1-CE2 3.65Å; F230-F334 HydrophobicContact CE1-CE2 3.65Å; F230-F334 HydrophobicContact CE1-CG 4.37Å; F230-F334 HydrophobicContact CE1-CZ 4.07Å; F230-F334 HydrophobicContact CG-CE2 4.27Å; A284-F334 HydrophobicContact CB-CE1 3.68Å; A284-F334 HydrophobicContact CB-CE2 4.46Å; A284-F334 HydrophobicContact CB-CZ 3.5Å; V293-F334 HydrophobicContact CG1-CD1 4.38Å; V293-F334 HydrophobicContact CG1-CE1 4.33Å; V293-F334 HydrophobicContact CG2-CD1 3.8Å; V293-F334 HydrophobicContact CG2-CE1 4.02Å; F334-L336 VanDerWaalsContact CB-O 3.26Å; F334-L336 WeakPolarHBondContact CB-O 3.09Å; F334-L336 PolarHBondContact O-N 3.1Å; F334-S338 WeakPolarHBondContact CD2-OG 3.43Å; F334-S338 WeakPolarHBondContact CE2-OG 3.39Å; F334-S338 WeakPolarHBondContact CG-OG 3.3Å; F334-V340 HydrophobicContact CE2-CG2 3.76Å; F334-V340 HydrophobicContact CZ-CG2 4.07Å
335	R	81.9	Confident	92.8	Very high	91 Å²	91	26.4 Å²	26.4	34%	0.343	13%	0.125	S	C	.	.	S	Bend	trans	-86.7	15.2	173.1	-60.9	-166	177.7	171.5	-2.9	113.9	D292	D292-R335 HydrophobicContact CB-CG 4.22Å; D292-R335 PolarHBondContact O-N 2.86Å
336	L	71.6	Confident	92.6	Very high	25 Å²	25	26.1 Å²	26.1	13%	0.131	12%	0.124	C	C	.	.	S	Bend	trans	175	177.1	162.1	-92.7	154.2	0	0	0	110.4	A110 F152 N289 V290 F334	A110-L336 HydrophobicContact CB-CD1 4.4Å; F152-L336 HydrophobicContact CD2-CD2 4.02Å; F152-L336 HydrophobicContact CE1-CB 4.47Å; F152-L336 HydrophobicContact CE1-CD2 4.42Å; F152-L336 HydrophobicContact CE1-CG 4.35Å; F152-L336 HydrophobicContact CE2-CD2 3.71Å; F152-L336 HydrophobicContact CE2-CG 4.48Å; F152-L336 HydrophobicContact CG-CD2 4.47Å; F152-L336 VanDerWaalsContact CZ-CA 3.42Å; F152-L336 HydrophobicContact CZ-CB 4.39Å; F152-L336 HydrophobicContact CZ-CD2 3.89Å; F152-L336 HydrophobicContact CZ-CG 4.26Å; N289-L336 HydrophobicContact CB-CB 4.47Å; N289-L336 HydrophobicContact CB-CD1 4.38Å; N289-L336 WeakPolarHBondContact O-CB 3.3Å; N289-L336 VanDerWaalsContact O-CD1 3.22Å; N289-L336 WeakPolarHBondContact O-CD1 3.09Å; V290-L336 VanDerWaalsContact CG2-O 3.3Å; V290-L336 WeakPolarHBondContact CG2-O 3.34Å; F334-L336 VanDerWaalsContact CB-O 3.26Å; F334-L336 WeakPolarHBondContact CB-O 3.09Å; F334-L336 PolarHBondContact O-N 3.1Å
337	G	70.1	Confident	92.5	Very high	14 Å²	14	18.1 Å²	18.1	14%	0.144	10%	0.096	C	C	.	.	S	Bend	trans	-47.6	146.1	-163.8	0	0	0	0	0	118.1	A287 V290	A287-G337 WeakPolarHBondContact CB-O 3.17Å; V290-G337 WeakPolarHBondContact CG2-O 3.14Å
338	S	85.5	Confident	92.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	-175.6	-160.6	61.8	0	0	0	0	115.6	L222 F334	L222-S338 PolarHBondContact N-O 2.88Å; F334-S338 WeakPolarHBondContact CD2-OG 3.43Å; F334-S338 WeakPolarHBondContact CE2-OG 3.39Å; F334-S338 WeakPolarHBondContact CG-OG 3.3Å
339	T	94	Very high	92.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139	173.6	-63.6	0	0	0	0	110.2	I219 L220 V251 F263 V285 V341	I219-T339 HydrophobicContact CG2-CG2 3.63Å; L220-T339 CarbonylContact O-C 3.52Å; L220-T339 VanDerWaalsContact O-CA 3.26Å; L220-T339 WeakPolarHBondContact O-CA 3.39Å; L220-T339 WeakPolarHBondContact O-CG2 3.4Å; V251-T339 WeakPolarHBondContact CB-OG1 3.39Å; V251-T339 VanDerWaalsContact CG2-OG1 3.27Å; V251-T339 WeakPolarHBondContact CG2-OG1 3.33Å; F263-T339 HydrophobicContact CE1-CG2 4.29Å; F263-T339 HydrophobicContact CE2-CG2 4.32Å; F263-T339 HydrophobicContact CZ-CG2 3.92Å; V285-T339 PolarHBondContact N-O 3.28Å; V285-T339 PolarHBondContact O-N 3.09Å; V285-T339 VanDerWaalsContact O-N 3.11Å; T339-V341 HydrophobicContact CG2-CG2 4.13Å
340	V	96.7	Very high	92.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.5	170.1	176.4	0	0	0	0	108.7	P171 A172 L220 L222 F230 M282 S283 F334 L342	P171-V340 HydrophobicContact CB-CG1 4.25Å; P171-V340 HydrophobicContact CG-CG1 3.72Å; A172-V340 HydrophobicContact CB-CG2 4.3Å; L220-V340 PolarHBondContact N-O 3.47Å; L220-V340 PolarHBondContact O-N 3.21Å; L222-V340 HydrophobicContact CD1-CB 4.36Å; L222-V340 HydrophobicContact CD1-CG2 3.88Å; F230-V340 HydrophobicContact CB-CG2 3.97Å; F230-V340 HydrophobicContact CG-CG2 4.33Å; M282-V340 HydrophobicContact CG-CG1 3.98Å; M282-V340 HydrophobicContact SD-CG1 4.28Å; S283-V340 WeakPolarHBondContact O-CA 3.35Å; F334-V340 HydrophobicContact CE2-CG2 3.76Å; F334-V340 HydrophobicContact CZ-CG2 4.07Å; V340-L342 HydrophobicContact CG1-CD2 4.28Å
341	V	96.6	Very high	92	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126	176.4	-179.4	0	0	0	0	108.7	F189 F200 V218 I219 F263 S283 V285 T339 I343	F189-V341 HydrophobicContact CE1-CG1 4.22Å; F200-V341 HydrophobicContact CE1-CB 4.05Å; F200-V341 HydrophobicContact CE1-CG1 3.78Å; F200-V341 HydrophobicContact CZ-CB 3.88Å; F200-V341 HydrophobicContact CZ-CG1 4.04Å; F200-V341 HydrophobicContact CZ-CG2 3.93Å; V218-V341 WeakPolarHBondContact O-CA 3.41Å; I219-V341 HydrophobicContact CG1-CG1 4.32Å; I219-V341 HydrophobicContact CG1-CG2 4.38Å; I219-V341 HydrophobicContact CG2-CG2 4.26Å; F263-V341 HydrophobicContact CD2-CG2 4.35Å; S283-V341 PolarHBondContact N-O 2.99Å; S283-V341 PolarHBondContact O-N 3.48Å; V285-V341 HydrophobicContact CG2-CG2 4.17Å; T339-V341 HydrophobicContact CG2-CG2 4.13Å; V341-I343 HydrophobicContact CG1-CD1 4.26Å; V341-I343 HydrophobicContact CG1-CG1 4.08Å
342	L	97.9	Very high	91.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.1	170.1	-56.8	-175.2	0	0	0	109.2	P171 Q217 V218 P233 F280 A281 M282 V340 F344 L366	P171-L342 HydrophobicContact CG-CD1 4.03Å; P171-L342 HydrophobicContact CG-CD2 4.13Å; P171-L342 HydrophobicContact CG-CG 4.21Å; Q217-L342 CarbonylContact C-O 3.52Å; Q217-L342 WeakPolarHBondContact CA-O 3.35Å; V218-L342 HydrophobicContact CB-CB 4.26Å; V218-L342 HydrophobicContact CB-CD1 4.48Å; V218-L342 PolarHBondContact N-O 3.3Å; V218-L342 PolarHBondContact O-N 2.78Å; P233-L342 HydrophobicContact CB-CD1 3.9Å; P233-L342 HydrophobicContact CG-CD1 4.06Å; P233-L342 HydrophobicContact CG-CD2 3.93Å; F280-L342 HydrophobicContact CE1-CD2 4.34Å; F280-L342 HydrophobicContact CZ-CD2 4.3Å; A281-L342 WeakPolarHBondContact O-CA 3.37Å; M282-L342 HydrophobicContact CB-CD2 3.9Å; M282-L342 HydrophobicContact CG-CD2 3.69Å; M282-L342 HydrophobicContact SD-CD2 4.29Å; V340-L342 HydrophobicContact CG1-CD2 4.28Å; L342-F344 HydrophobicContact CB-CD1 4.1Å; L342-F344 HydrophobicContact CB-CE1 4.27Å; L342-L366 HydrophobicContact CD1-CD1 3.87Å
343	I	96.4	Very high	92	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	122.1	170.4	-62.4	174.9	0	0	0	108.1	I187 I197 F200 L201 L215 Y216 Q217 F279 A281 V341	I187-I343 HydrophobicContact CD1-CD1 3.38Å; I187-I343 HydrophobicContact CG1-CD1 4.02Å; I187-I343 HydrophobicContact CG2-CD1 4.42Å; I197-I343 HydrophobicContact CD1-CD1 4.27Å; I197-I343 HydrophobicContact CD1-CG2 3.75Å; F200-I343 HydrophobicContact CD1-CD1 3.79Å; F200-I343 HydrophobicContact CE1-CD1 4.02Å; L201-I343 HydrophobicContact CD1-CB 4.21Å; L201-I343 HydrophobicContact CD1-CD1 3.9Å; L201-I343 HydrophobicContact CD1-CG2 4.03Å; L201-I343 HydrophobicContact CD2-CD1 4.02Å; L201-I343 HydrophobicContact CG-CD1 3.99Å; L215-I343 HydrophobicContact CD1-CG2 3.85Å; L215-I343 HydrophobicContact CD2-CG2 4.14Å; L215-I343 HydrophobicContact CG-CG2 4.02Å; Y216-I343 VanDerWaalsContact O-CA 3.3Å; Y216-I343 WeakPolarHBondContact O-CA 3.25Å; Q217-I343 HydrophobicContact CB-CG1 4.34Å; F279-I343 HydrophobicContact CE1-CG2 4.35Å; A281-I343 PolarHBondContact N-O 3.38Å; A281-I343 PolarHBondContact O-N 3.38Å; V341-I343 HydrophobicContact CG1-CD1 4.26Å; V341-I343 HydrophobicContact CG1-CG1 4.08Å
344	F	96.3	Very high	92.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	151.6	-169.8	59.5	-89.4	0	0	0	112.9	L168 Y216 V218 W275 F279 F280 L342 A346 L350 F352	L168-F344 HydrophobicContact CD2-CD1 4.43Å; L168-F344 HydrophobicContact CD2-CD2 4.45Å; L168-F344 HydrophobicContact CD2-CE1 3.69Å; L168-F344 HydrophobicContact CD2-CE2 3.71Å; L168-F344 HydrophobicContact CD2-CZ 3.27Å; Y216-F344 HydrophobicContact CD2-CE2 4.34Å; Y216-F344 HydrophobicContact CG-CE2 4.32Å; Y216-F344 PolarHBondContact N-O 2.93Å; Y216-F344 PolarHBondContact O-N 3.22Å; V218-F344 HydrophobicContact CG2-CE1 4.12Å; V218-F344 HydrophobicContact CG2-CZ 4.5Å; W275-F344 HydrophobicContact CH2-CD2 4.17Å; W275-F344 HydrophobicContact CH2-CE2 4.48Å; W275-F344 HydrophobicContact CZ2-CB 4.48Å; W275-F344 AromaticContact CZ2-CD2 3.6Å; W275-F344 HydrophobicContact CZ2-CD2 3.6Å; W275-F344 HydrophobicContact CZ2-CE2 4.28Å; W275-F344 HydrophobicContact CZ2-CG 4.37Å; F279-F344 WeakPolarHBondContact O-CA 3.38Å; F280-F344 HydrophobicContact CB-CB 4.49Å; F280-F344 HydrophobicContact CD2-CB 3.31Å; F280-F344 HydrophobicContact CD2-CG 4.13Å; F280-F344 HydrophobicContact CE2-CB 3.55Å; F280-F344 HydrophobicContact CE2-CD1 4.11Å; F280-F344 AromaticContact CE2-CG 3.88Å; F280-F344 HydrophobicContact CE2-CG 3.88Å; F280-F344 HydrophobicContact CG-CB 4.05Å; F280-F344 HydrophobicContact CZ-CB 4.44Å; L342-F344 HydrophobicContact CB-CD1 4.1Å; L342-F344 HydrophobicContact CB-CE1 4.27Å; F344-A346 HydrophobicContact CD2-CB 4.3Å; F344-A346 HydrophobicContact CE2-CB 4.25Å; F344-L350 HydrophobicContact CE2-CD1 3.68Å; F344-L350 HydrophobicContact CZ-CD1 4.31Å; F344-F352 HydrophobicContact CZ-CE1 4.32Å; F344-F352 HydrophobicContact CZ-CZ 4.47Å
345	E	95.7	Very high	92.3	Very high	9 Å²	9	35 Å²	35	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.9	173.9	-74.4	174.5	-167.8	0	0	111.1	K209 E210 H213 E214 L215 W275 H277 F279	K209-E345 WeakPolarHBondContact CA-OE1 3.4Å; K209-E345 HydrophobicContact CG-CG 4.23Å; K209-E345 WeakPolarHBondContact CG-OE1 3.14Å; E210-E345 PolarHBondContact N-OE2 2.88Å; H213-E345 HydrophobicContact CB-CB 4.42Å; E214-E345 CarbonylContact O-C 3.45Å; E214-E345 VanDerWaalsContact O-CA 3.23Å; E214-E345 WeakPolarHBondContact O-CA 3.27Å; L215-E345 HydrophobicContact CD1-CG 3.94Å; W275-E345 WeakPolarHBondContact CZ2-O 3.25Å; W275-E345 PolarHBondContact NE1-O 3.35Å; H277-E345 VanDerWaalsContact CB-O 3.32Å; H277-E345 WeakPolarHBondContact CB-O 3.43Å; H277-E345 VanDerWaalsContact O-CB 3.28Å; H277-E345 WeakPolarHBondContact O-CB 3.42Å; F279-E345 HydrophobicContact CB-CG 3.9Å; F279-E345 WeakPolarHBondContact CB-OE1 3.39Å; F279-E345 PolarHBondContact N-OE2 3.21Å; F279-E345 PolarHBondContact O-N 3.45Å
346	A	95.8	Very high	92.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	162.5	171.8	0	0	0	0	0	110.9	H213 E214 Y216 W275 F344 L350 F371	H213-A346 CarbonylContact C-O 3.58Å; H213-A346 WeakPolarHBondContact CA-O 3.42Å; H213-A346 WeakPolarHBondContact CB-O 3.36Å; E214-A346 PolarHBondContact N-O 3.47Å; E214-A346 PolarHBondContact O-N 3.04Å; Y216-A346 HydrophobicContact CD2-CB 3.78Å; Y216-A346 HydrophobicContact CE2-CB 3.78Å; W275-A346 HydrophobicContact CZ2-CB 4.12Å; F344-A346 HydrophobicContact CD2-CB 4.3Å; F344-A346 HydrophobicContact CE2-CB 4.25Å; A346-L350 HydrophobicContact CB-CB 4.24Å; A346-L350 HydrophobicContact CB-CD1 3.43Å; A346-L350 VanDerWaalsContact CB-CD1 3.43Å; A346-L350 HydrophobicContact CB-CG 4.47Å; A346-F371 HydrophobicContact CB-CE2 3.99Å; A346-F371 HydrophobicContact CB-CZ 3.99Å
347	P	94.7	Very high	93.9	Very high	16 Å²	16	34.6 Å²	34.6	10%	0.104	20%	0.203	C	C	.	.			trans	-55.9	149.5	169.1	-26.8	37.8	0	0	0	112.9	Y216 T349 L350 F371	Y216-P347 PolarHBondContact OH-O 2.85Å; P347-T349 WeakPolarHBondContact CB-OG1 3.28Å; P347-T349 PolarHBondContact O-N 2.95Å; P347-L350 WeakPolarHBondContact O-CB 3.47Å; P347-L350 PolarHBondContact O-N 2.98Å; P347-F371 HydrophobicContact CB-CD2 4.31Å; P347-F371 VanDerWaalsContact CD-CD2 3.41Å; P347-F371 HydrophobicContact CG-CD2 3.68Å; P347-F371 HydrophobicContact CG-CE2 4.15Å
348	P	93.6	Very high	95.2	Very high	74 Å²	74	36.9 Å²	36.9	48%	0.481	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-14	177.7	25.2	-35.6	0	0	0	113.6	G212 E214 Y216 L350	G212-P348 WeakPolarHBondContact O-CD 3.48Å; E214-P348 HydrophobicContact CG-CB 4.09Å; Y216-P348 WeakPolarHBondContact OH-CA 3.47Å; P348-L350 PolarHBondContact O-N 2.83Å
349	T	93.6	Very high	95.7	Very high	86 Å²	86	42.8 Å²	42.8	53%	0.528	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.4	175.2	50.2	0	0	0	0	113.4	P347 Q351	P347-T349 WeakPolarHBondContact CB-OG1 3.28Å; P347-T349 PolarHBondContact O-N 2.95Å; T349-Q351 PolarHBondContact O-N 3.11Å
350	L	95.1	Very high	95.8	Very high	14 Å²	14	43.7 Å²	43.7	7%	0.073	25%	0.248	C	C	.	.			trans	-55.8	128.6	178.3	-179.6	149.5	0	0	0	111.2	Y216 F344 A346 P347 P348 F352 I367 F371	Y216-L350 HydrophobicContact CD1-CD2 4.18Å; Y216-L350 HydrophobicContact CD2-CD1 4.32Å; Y216-L350 HydrophobicContact CE1-CD2 4.14Å; Y216-L350 HydrophobicContact CE2-CB 4.22Å; Y216-L350 HydrophobicContact CE2-CD1 4.46Å; F344-L350 HydrophobicContact CE2-CD1 3.68Å; F344-L350 HydrophobicContact CZ-CD1 4.31Å; A346-L350 HydrophobicContact CB-CB 4.24Å; A346-L350 HydrophobicContact CB-CD1 3.43Å; A346-L350 VanDerWaalsContact CB-CD1 3.43Å; A346-L350 HydrophobicContact CB-CG 4.47Å; P347-L350 WeakPolarHBondContact O-CB 3.47Å; P347-L350 PolarHBondContact O-N 2.98Å; P348-L350 PolarHBondContact O-N 2.83Å; L350-F352 HydrophobicContact CD2-CD1 4.19Å; L350-F352 HydrophobicContact CD2-CD2 3.63Å; L350-F352 HydrophobicContact CD2-CE1 3.97Å; L350-F352 HydrophobicContact CD2-CE2 3.39Å; L350-F352 HydrophobicContact CD2-CG 4.05Å; L350-F352 HydrophobicContact CD2-CZ 3.58Å; L350-I367 HydrophobicContact CD1-CG2 4.15Å; L350-I367 HydrophobicContact CD2-CG2 4.34Å; L350-I367 HydrophobicContact CG-CG2 4.12Å; L350-F371 HydrophobicContact CB-CD1 4.3Å; L350-F371 HydrophobicContact CB-CE1 4.13Å; L350-F371 HydrophobicContact CD1-CE1 3.72Å; L350-F371 HydrophobicContact CD1-CZ 3.76Å; L350-F371 HydrophobicContact CG-CD1 4.43Å; L350-F371 HydrophobicContact CG-CE1 3.87Å; L350-F371 HydrophobicContact CG-CZ 4.36Å
351	Q	95.9	Very high	95.9	Very high	127 Å²	127	48.2 Å²	48.2	59%	0.593	27%	0.266	S	S	*	.			trans	-121.3	123	174.3	-66.8	177.9	46.2	0	0	110.1	T349 I367 I368	T349-Q351 PolarHBondContact O-N 3.11Å; Q351-I367 VanDerWaalsContact O-CA 3.25Å; Q351-I367 WeakPolarHBondContact O-CA 3.5Å; Q351-I367 WeakPolarHBondContact O-CB 3.32Å; Q351-I368 HydrophobicContact CB-CB 4.46Å; Q351-I368 HydrophobicContact CB-CD1 3.97Å; Q351-I368 HydrophobicContact CB-CG1 4.3Å; Q351-I368 PolarHBondContact O-N 3.45Å
352	F	96.8	Very high	95.9	Very high	37 Å²	37	49.3 Å²	49.3	16%	0.162	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-73.6	137.7	175	-68.8	-80.8	0	0	0	111.1	Y179 Y216 V218 F344 L350 V354 L366	Y179-F352 HydrophobicContact CD2-CB 3.74Å; Y179-F352 AromaticContact CD2-CD1 3.86Å; Y179-F352 HydrophobicContact CD2-CD1 3.86Å; Y179-F352 AromaticContact CD2-CD2 3.53Å; Y179-F352 HydrophobicContact CD2-CD2 3.53Å; Y179-F352 HydrophobicContact CD2-CE1 4.32Å; Y179-F352 HydrophobicContact CD2-CE2 4.02Å; Y179-F352 AromaticContact CD2-CG 3.42Å; Y179-F352 HydrophobicContact CD2-CG 3.42Å; Y179-F352 VanDerWaalsContact CD2-CG 3.42Å; Y179-F352 HydrophobicContact CD2-CZ 4.38Å; Y179-F352 HydrophobicContact CE2-CB 3.65Å; Y179-F352 AromaticContact CE2-CD2 3.89Å; Y179-F352 HydrophobicContact CE2-CD2 3.89Å; Y179-F352 AromaticContact CE2-CG 3.82Å; Y179-F352 HydrophobicContact CE2-CG 3.82Å; Y216-F352 AromaticContact CD1-CE2 3.81Å; Y216-F352 HydrophobicContact CD1-CE2 3.81Å; Y216-F352 AromaticContact CD1-CZ 3.9Å; Y216-F352 HydrophobicContact CD1-CZ 3.9Å; Y216-F352 HydrophobicContact CE1-CE2 4.32Å; Y216-F352 HydrophobicContact CG-CZ 4.34Å; V218-F352 HydrophobicContact CG2-CD1 4.35Å; V218-F352 HydrophobicContact CG2-CE1 3.57Å; V218-F352 HydrophobicContact CG2-CZ 4.35Å; F344-F352 HydrophobicContact CZ-CE1 4.32Å; F344-F352 HydrophobicContact CZ-CZ 4.47Å; L350-F352 HydrophobicContact CD2-CD1 4.19Å; L350-F352 HydrophobicContact CD2-CD2 3.63Å; L350-F352 HydrophobicContact CD2-CE1 3.97Å; L350-F352 HydrophobicContact CD2-CE2 3.39Å; L350-F352 HydrophobicContact CD2-CG 4.05Å; L350-F352 HydrophobicContact CD2-CZ 3.58Å; F352-V354 VanDerWaalsContact C-N 3.3Å; F352-V354 HydrophobicContact CB-CG2 4.3Å; F352-V354 HydrophobicContact CD1-CG2 4.4Å; F352-L366 WeakPolarHBondContact CA-O 3.31Å
353	A	96.8	Very high	95.8	Very high	51 Å²	51	49.4 Å²	49.4	42%	0.421	27%	0.27	S	S	.	.	S	Bend	trans	-92.8	10.8	173.2	0	0	0	0	0	112.7	L366 I368	A353-L366 PolarHBondContact N-O 3.3Å; A353-I368 HydrophobicContact CB-CG1 3.84Å
354	V	97	Very high	95.9	Very high	6 Å²	6	53.3 Å²	53.3	4%	0.036	29%	0.289	C	S	.	.			trans	-129.6	160.7	-170.9	-60	0	0	0	0	111.7	V176 Y179 F352 L360 L366	V176-V354 HydrophobicContact CG2-CB 4.29Å; V176-V354 HydrophobicContact CG2-CG2 4.48Å; Y179-V354 HydrophobicContact CD2-CG2 4.5Å; Y179-V354 WeakPolarHBondContact CE2-O 3.4Å; Y179-V354 HydrophobicContact CG-CG2 4.39Å; Y179-V354 PolarHBondContact OH-O 3.27Å; F352-V354 VanDerWaalsContact C-N 3.3Å; F352-V354 HydrophobicContact CB-CG2 4.3Å; F352-V354 HydrophobicContact CD1-CG2 4.4Å; V354-L360 HydrophobicContact CG1-CD1 3.93Å; V354-L360 HydrophobicContact CG1-CD2 4.06Å; V354-L366 HydrophobicContact CG1-CD2 4.05Å; V354-L366 HydrophobicContact CG2-CD2 4.41Å
355	R	96.4	Very high	95.9	Very high	183 Å²	183	55.2 Å²	55.2	69%	0.691	30%	0.302	S	S	*	.			trans	-129.1	156.7	173.7	-64	-179.7	179	178.8	0.5	110.5	V176 G357 D358	V176-R355 WeakPolarHBondContact CB-O 3.4Å; R355-G357 PolarHBondContact O-N 3.42Å; R355-D358 PolarHBondContact N-OD2 3.43Å; R355-D358 VanDerWaalsContact O-CB 3.31Å; R355-D358 WeakPolarHBondContact O-CB 3.23Å; R355-D358 VanDerWaalsContact O-CG 3.3Å; R355-D358 PolarHBondContact O-N 3.15Å; R355-D358 VanDerWaalsContact O-N 3.11Å
356	A	93.2	Very high	96	Very high	62 Å²	62	54.8 Å²	54.8	51%	0.512	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	130.8	172	0	0	0	0	0	109.6	V176	V176-A356 CarbonylContact O-C 3.58Å; V176-A356 WeakPolarHBondContact O-CA 3.3Å
357	G	93.7	Very high	96.1	Very high	46 Å²	46	54.9 Å²	54.9	47%	0.474	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.1	-11.8	-173	0	0	0	0	0	114.6	V176 R355	V176-G357 PolarHBondContact O-N 2.84Å; R355-G357 PolarHBondContact O-N 3.42Å
358	D	97	Very high	95.9	Very high	62 Å²	62	58.8 Å²	58.8	33%	0.332	32%	0.32	S	S	.	.			trans	-66.4	136.5	177.5	-71.2	-10.3	0	0	0	110.9	V175 V176 R355	V175-D358 WeakPolarHBondContact CA-O 3.45Å; V176-D358 HydrophobicContact CG2-CB 4.24Å; V176-D358 PolarHBondContact N-O 2.89Å; R355-D358 PolarHBondContact N-OD2 3.43Å; R355-D358 VanDerWaalsContact O-CB 3.31Å; R355-D358 WeakPolarHBondContact O-CB 3.23Å; R355-D358 VanDerWaalsContact O-CG 3.3Å; R355-D358 PolarHBondContact O-N 3.15Å; R355-D358 VanDerWaalsContact O-N 3.11Å
359	N	96.8	Very high	95.3	Very high	124 Å²	124	59 Å²	59	66%	0.663	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	119	171.5	-68.7	-80.3	0	0	0	108.9	G174 V175	G174-N359 WeakPolarHBondContact O-CA 3.29Å; V175-N359 WeakPolarHBondContact CG2-OD1 3.46Å
360	L	96.8	Very high	93.9	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.099	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	152	178.1	-58.4	-178.4	0	0	0	111	D173 G174 V176 L220 V354 Q364 L366	D173-L360 CarbonylContact C-O 3.56Å; D173-L360 VanDerWaalsContact CA-O 3.29Å; D173-L360 WeakPolarHBondContact CA-O 3.13Å; G174-L360 PolarHBondContact N-O 2.8Å; G174-L360 PolarHBondContact O-N 2.83Å; V176-L360 HydrophobicContact CG2-CD1 3.5Å; V176-L360 HydrophobicContact CG2-CG 3.92Å; L220-L360 HydrophobicContact CD2-CD1 3.95Å; V354-L360 HydrophobicContact CG1-CD1 3.93Å; V354-L360 HydrophobicContact CG1-CD2 4.06Å; L360-Q364 VanDerWaalsContact CA-OE1 3.32Å; L360-L366 HydrophobicContact CD1-CD2 3.5Å
361	R	96.9	Very high	92.3	Very high	97 Å²	97	60.3 Å²	60.3	37%	0.366	34%	0.338	S	S	.	.			trans	-104.9	152	161.8	-60.1	176.7	-171.6	-173.9	-3.5	108.2	S170 A172 D173 Q364	S170-R361 WeakPolarHBondContact CB-O 3.16Å; A172-R361 CarbonylContact O-C 3.53Å; D173-R361 WeakPolarHBondContact OD1-CA 3.44Å; R361-Q364 HydrophobicContact CB-CG 4.25Å; R361-Q364 WeakPolarHBondContact O-CB 3.29Å; R361-Q364 WeakPolarHBondContact O-CG 3.37Å; R361-Q364 PolarHBondContact O-N 2.97Å
362	Y	97.1	Very high	92.2	Very high	23 Å²	23	57 Å²	57	9%	0.09	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	146.2	174.2	81.4	-99.9	0	0	0	110.6	L156 R161 I163 S170 A172 D173 Y227 H231 Q364	L156-Y362 HydrophobicContact CD1-CE1 4.03Å; R161-Y362 HydrophobicContact CB-CD2 4.39Å; R161-Y362 HydrophobicContact CB-CE1 3.88Å; R161-Y362 HydrophobicContact CB-CE2 3.6Å; R161-Y362 WeakPolarHBondContact CB-OH 3.31Å; R161-Y362 HydrophobicContact CG-CD1 4.13Å; R161-Y362 HydrophobicContact CG-CE1 3.41Å; R161-Y362 VanDerWaalsContact CG-CE1 3.41Å; R161-Y362 HydrophobicContact CG-CE2 4.12Å; R161-Y362 WeakPolarHBondContact CG-OH 3.39Å; I163-Y362 HydrophobicContact CD1-CD2 4.17Å; I163-Y362 HydrophobicContact CD1-CE2 4.13Å; S170-Y362 CarbonylContact O-C 3.57Å; S170-Y362 VanDerWaalsContact O-CA 3.22Å; S170-Y362 WeakPolarHBondContact O-CA 3.46Å; A172-Y362 PolarHBondContact O-N 3.27Å; D173-Y362 WeakPolarHBondContact OD1-CD1 3.39Å; D173-Y362 PolarHBondContact OD1-N 3.11Å; Y227-Y362 AromaticContact CD1-CD1 3.79Å; Y227-Y362 HydrophobicContact CD1-CD1 3.79Å; Y227-Y362 AromaticContact CD1-CE1 3.79Å; Y227-Y362 HydrophobicContact CD1-CE1 3.79Å; Y227-Y362 AromaticContact CE1-CD1 3.8Å; Y227-Y362 HydrophobicContact CE1-CD1 3.8Å; Y227-Y362 AromaticContact CE1-CE1 3.58Å; Y227-Y362 HydrophobicContact CE1-CE1 3.58Å; H231-Y362 HydrophobicContact CB-CD2 4.17Å; H231-Y362 AromaticContact CD2-CD1 3.96Å; H231-Y362 AromaticContact CD2-CG 3.89Å; H231-Y362 AromaticContact CE1-CZ 3.97Å; H231-Y362 AromaticContact CG-CD2 3.87Å; H231-Y362 AromaticContact ND1-CE2 3.98Å; H231-Y362 AromaticContact NE2-CE1 3.89Å; H231-Y362 AromaticContact NE2-CZ 3.93Å; Y362-Q364 VanDerWaalsContact C-N 3.32Å; Y362-Q364 PolarHBondContact O-N 3.46Å
363	G	97.1	Very high	91.9	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-12.9	-175.9	0	0	0	0	0	115.4	S164 S170	S164-G363 VanDerWaalsContact CB-O 3.29Å; S164-G363 WeakPolarHBondContact CB-O 3.29Å; S164-G363 PolarHBondContact N-O 3.47Å; S170-G363 PolarHBondContact O-N 3.01Å
364	Q	97.4	Very high	91.6	Very high	83 Å²	83	58.4 Å²	58.4	39%	0.388	33%	0.329	S	S	.	.	S	Bend	trans	-72.6	149.6	173.9	-67.7	-173.4	-49.3	0	0	112	V169 S170 L360 R361 Y362 L366	V169-Q364 CarbonylContact C-O 3.58Å; V169-Q364 VanDerWaalsContact CA-O 3.25Å; V169-Q364 WeakPolarHBondContact CA-O 3.31Å; V169-Q364 WeakPolarHBondContact CB-O 3.41Å; S170-Q364 PolarHBondContact N-O 3.24Å; L360-Q364 VanDerWaalsContact CA-OE1 3.32Å; R361-Q364 HydrophobicContact CB-CG 4.25Å; R361-Q364 WeakPolarHBondContact O-CB 3.29Å; R361-Q364 WeakPolarHBondContact O-CG 3.37Å; R361-Q364 PolarHBondContact O-N 2.97Å; Y362-Q364 VanDerWaalsContact C-N 3.32Å; Y362-Q364 PolarHBondContact O-N 3.46Å; Q364-L366 PolarHBondContact O-N 3.42Å
365	S	97.1	Very high	91.3	Very high	40 Å²	40	61.5 Å²	61.5	28%	0.28	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-62.7	129.8	-176.6	-36.8	0	0	0	0	112.1	S164	S164-S365 WeakPolarHBondContact CB-OG 3.45Å; S164-S365 PolarHBondContact OG-OG 3.04Å
366	L	97.8	Very high	91	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	-90.4	-18.6	167.3	-71.1	178.4	0	0	0	112.3	L168 V169 V218 L342 F352 A353 V354 L360 Q364	L168-L366 HydrophobicContact CD2-CB 4.29Å; L168-L366 HydrophobicContact CD2-CD1 4.31Å; L168-L366 HydrophobicContact CG-CB 4.29Å; L168-L366 HydrophobicContact CG-CD1 4.14Å; L168-L366 PolarHBondContact O-N 3.24Å; V169-L366 VanDerWaalsContact O-CD1 3.29Å; V169-L366 WeakPolarHBondContact O-CD1 3.48Å; V218-L366 HydrophobicContact CG1-CD1 4.36Å; V218-L366 HydrophobicContact CG1-CD2 4.33Å; L342-L366 HydrophobicContact CD1-CD1 3.87Å; F352-L366 WeakPolarHBondContact CA-O 3.31Å; A353-L366 PolarHBondContact N-O 3.3Å; V354-L366 HydrophobicContact CG1-CD2 4.05Å; V354-L366 HydrophobicContact CG2-CD2 4.41Å; L360-L366 HydrophobicContact CD1-CD2 3.5Å; Q364-L366 PolarHBondContact O-N 3.42Å
367	I	96.7	Very high	90.9	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-129.5	156.4	-174.8	59.3	170.6	0	0	0	111.1	V166 D167 L168 L350 Q351 F371	V166-I367 HydrophobicContact CB-CD1 4.49Å; V166-I367 HydrophobicContact CB-CG1 4.15Å; V166-I367 HydrophobicContact CG2-CG1 4.29Å; D167-I367 HydrophobicContact CB-CD1 4.16Å; L168-I367 HydrophobicContact CB-CD1 3.84Å; L168-I367 HydrophobicContact CB-CG1 4.08Å; L168-I367 HydrophobicContact CB-CG2 4.36Å; L168-I367 HydrophobicContact CD2-CG2 4.21Å; L350-I367 HydrophobicContact CD1-CG2 4.15Å; L350-I367 HydrophobicContact CD2-CG2 4.34Å; L350-I367 HydrophobicContact CG-CG2 4.12Å; Q351-I367 VanDerWaalsContact O-CA 3.25Å; Q351-I367 WeakPolarHBondContact O-CA 3.5Å; Q351-I367 WeakPolarHBondContact O-CB 3.32Å; I367-F371 HydrophobicContact CD1-CD1 4.26Å; I367-F371 HydrophobicContact CD1-CE1 3.49Å; I367-F371 VanDerWaalsContact CD1-CE1 3.49Å; I367-F371 HydrophobicContact CD1-CZ 4.22Å
368	I	91.6	Very high	90.7	Very high	99 Å²	99	53.9 Å²	53.9	51%	0.508	30%	0.3	S	S	.	.	S	Bend	trans	-72.7	-37.7	-171.8	-64	180	0	0	0	112.6	Q351 A353	Q351-I368 HydrophobicContact CB-CB 4.46Å; Q351-I368 HydrophobicContact CB-CD1 3.97Å; Q351-I368 HydrophobicContact CB-CG1 4.3Å; Q351-I368 PolarHBondContact O-N 3.45Å; A353-I368 HydrophobicContact CB-CG1 3.84Å
369	S	79.7	Confident	90.2	Very high	79 Å²	79	53.3 Å²	53.3	55%	0.552	30%	0.298	S	S	*	.	S	Bend	trans	168.8	174.5	166.1	51.3	0	0	0	0	110.4
370	G	64.2	Low	89.6	Confident	59 Å²	59	47.4 Å²	47.4	61%	0.608	27%	0.267	S	S	*	.			trans	-42.9	132.5	-170.6	0	0	0	0	0	116
371	F	63.3	Low	89	Confident	68 Å²	68	50 Å²	50	30%	0.298	28%	0.282	S	S	.	.			trans	-121	0	177.1	46.4	-106.1	0	0	0	111.9	W275 H277 A346 P347 L350 I367	W275-F371 HydrophobicContact CH2-CZ 4.03Å; H277-F371 AromaticContact CD2-CE2 3.55Å; H277-F371 AromaticContact CE1-CD2 3.57Å; H277-F371 AromaticContact CE1-CE2 3.39Å; H277-F371 WeakPolarHBondContact CE1-CE2 3.43Å; H277-F371 AromaticContact CG-CE2 3.89Å; H277-F371 AromaticContact ND1-CE2 3.81Å; H277-F371 AromaticContact NE2-CD2 3.83Å; H277-F371 AromaticContact NE2-CE2 3.25Å; H277-F371 WeakPolarHBondContact NE2-CE2 3.5Å; A346-F371 HydrophobicContact CB-CE2 3.99Å; A346-F371 HydrophobicContact CB-CZ 3.99Å; P347-F371 HydrophobicContact CB-CD2 4.31Å; P347-F371 VanDerWaalsContact CD-CD2 3.41Å; P347-F371 HydrophobicContact CG-CD2 3.68Å; P347-F371 HydrophobicContact CG-CE2 4.15Å; L350-F371 HydrophobicContact CB-CD1 4.3Å; L350-F371 HydrophobicContact CB-CE1 4.13Å; L350-F371 HydrophobicContact CD1-CE1 3.72Å; L350-F371 HydrophobicContact CD1-CZ 3.76Å; L350-F371 HydrophobicContact CG-CD1 4.43Å; L350-F371 HydrophobicContact CG-CE1 3.87Å; L350-F371 HydrophobicContact CG-CZ 4.36Å; I367-F371 HydrophobicContact CD1-CD1 4.26Å; I367-F371 HydrophobicContact CD1-CE1 3.49Å; I367-F371 VanDerWaalsContact CD1-CE1 3.49Å; I367-F371 HydrophobicContact CD1-CZ 4.22Å

Retrieved 371 of 371 residues in 119.3 ms (Link to these results)

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