A0A087XPK4_POEFO Loading...

THO complex subunit 3

Component of the THO subcomplex of the TREX complex which is thought to couple mRNA transcription, processing and nuclear export, and which specifically associates with spliced mRNA and not with unspliced pre-mRNA. Required for efficient export of polyadenylated RNA and spliced mRNA. The THOC1-THOC2-THOC3 core complex alone is sufficient to bind export factor NXF1-NXT1 and promote ATPase activity of DDX39B. TREX is recruited to spliced mRNAs by a transcription-independent mechanism, binds to mRNA upstream of the exon-junction complex (EJC) and is recruited in a splicing- and cap-dependent manner to a region near the 5' end of the mRNA where it functions in mRNA export to the cytoplasm via the TAP/NXF1 pathway.

AlphaFold DB , UniProt , Accession A0A087XPK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	36.8	Very low	237 Å²	237	133.9 Å²	133.9	100%	1.167	83%	0.83	S	S	*	*				0	119.1	0	-82.9	168.1	175.9	0	0	108.3
2	T	36.5	Very low	36.5	Very low	148 Å²	148	142.9 Å²	142.9	91%	0.908	84%	0.837	S	S	*	*			trans	50.4	118.5	160.7	51.8	0	0	0	0	120.7
3	A	32.2	Very low	36.6	Very low	92 Å²	92	147.2 Å²	147.2	76%	0.76	84%	0.843	S	S	*	*			trans	-110.6	156.9	174.8	0	0	0	0	0	111.6
4	K	38.7	Very low	36.7	Very low	206 Å²	206	148.5 Å²	148.5	90%	0.896	85%	0.845	S	S	*	*			trans	88.5	153.8	147.7	-79.2	-160.6	178.4	-180	0	121.4
5	P	60.9	Low	36.6	Very low	103 Å²	103	146.4 Å²	146.4	67%	0.669	84%	0.839	S	S	*	*			trans	-122	175.8	-144.8	42.8	-28.5	0	0	0	114.2
6	N	34.2	Very low	37	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	84%	0.84	S	S	*	*			trans	179.3	138	132.4	-108.1	-11.1	0	0	0	116.3
7	Q	35.3	Very low	37.1	Very low	164 Å²	164	147.5 Å²	147.5	77%	0.766	84%	0.839	S	S	*	*			trans	65.2	116.5	133.4	-71.9	177.7	2.8	0	0	124.6
8	A	35.4	Very low	37	Very low	83 Å²	83	149.8 Å²	149.8	69%	0.686	84%	0.841	S	S	*	*				73.7	123.7	122.1	0	0	0	0	0	120.6
9	T	33.3	Very low	36.8	Very low	143 Å²	143	148 Å²	148	88%	0.877	84%	0.836	S	S	*	*				172.4	140	92.9	37	0	0	0	0	112.9
10	G	28.3	Very low	36.6	Very low	85 Å²	85	150 Å²	150	88%	0.876	84%	0.84	S	S	*	*			trans	96.1	123.5	133.4	0	0	0	0	0	119.4
11	G	30.5	Very low	36.5	Very low	78 Å²	78	151.8 Å²	151.8	80%	0.804	84%	0.84	S	S	*	*			trans	143.3	54.2	144.3	0	0	0	0	0	120.6
12	R	33.4	Very low	36.3	Very low	242 Å²	242	149.7 Å²	149.7	91%	0.913	82%	0.824	S	S	*	*			trans	35.1	117.4	144.9	-68	179	-179.6	174.3	0.5	120.8
13	H	37	Very low	36.1	Very low	198 Å²	198	150 Å²	150	92%	0.917	82%	0.818	S	S	*	*			trans	-53	134.1	150.2	-98.2	9	0	0	0	112.8
14	L	37.8	Very low	36.3	Very low	166 Å²	166	154.9 Å²	154.9	87%	0.869	82%	0.822	S	S	*	*			trans	-116.7	128	162.1	-83.1	158.4	0	0	0	108.6
15	P	36.3	Very low	36.3	Very low	117 Å²	117	149.9 Å²	149.9	76%	0.76	81%	0.814	S	S	*	*			trans	-82.9	135.4	174.9	31.2	-29.5	0	0	0	111	K17	P15-K17 PolarHBondContact O-N 3.2Å
16	S	41.7	Very low	35.3	Very low	122 Å²	122	148.2 Å²	148.2	85%	0.853	82%	0.815	S	S	*	*			trans	-71.9	105.9	170.3	65.5	0	0	0	0	110.4
17	K	39.8	Very low	36.3	Very low	190 Å²	190	150.9 Å²	150.9	83%	0.826	82%	0.82	S	S	*	*			trans	-136.8	98.7	158.7	-79.3	-171.9	179.3	-179.7	0	108.7	P15	P15-K17 PolarHBondContact O-N 3.2Å
18	H	34.3	Very low	37.4	Very low	188 Å²	188	151.3 Å²	151.3	87%	0.87	82%	0.824	S	S	*	*			trans	-103.9	114.7	153	-79.7	4.5	0	0	0	106.7	M20	H18-M20 PolarHBondContact O-N 3.24Å
19	P	33.8	Very low	38.9	Very low	116 Å²	116	148.7 Å²	148.7	75%	0.753	80%	0.802	S	S	*	*			trans	-69.8	116.3	166.1	17.4	-8.3	0	0	0	106.9	K21	P19-K21 PolarHBondContact O-N 2.97Å
20	M	33.8	Very low	41.4	Very low	187 Å²	187	143.7 Å²	143.7	92%	0.921	77%	0.773	S	S	*	*			trans	-57	108.8	160.2	-73.8	-171.1	-165	0	0	106.8	H18 K22	H18-M20 PolarHBondContact O-N 3.24Å; M20-K22 PolarHBondContact O-N 2.94Å
21	K	32.8	Very low	44.3	Very low	189 Å²	189	146.5 Å²	146.5	82%	0.822	76%	0.764	S	S	*	*			trans	-58.8	106.5	164.3	-82.5	-179.6	174.9	178.7	0	106.3	P19 I23	P19-K21 PolarHBondContact O-N 2.97Å; K21-I23 VanDerWaalsContact C-N 3.34Å; K21-I23 PolarHBondContact O-N 2.95Å
22	K	36	Very low	47.2	Very low	192 Å²	192	144.4 Å²	144.4	84%	0.835	73%	0.732	S	S	*	*			trans	-56.7	104.9	158.9	-83.1	-177.2	175.1	-178.4	0	106.1	M20 K24	M20-K22 PolarHBondContact O-N 2.94Å; K22-K24 PolarHBondContact O-N 2.9Å
23	I	31.9	Very low	50	Low	154 Å²	154	135 Å²	135	79%	0.79	70%	0.696	S	S	*	*			trans	-66.7	93.5	163.1	-59.8	171.2	0	0	0	104.3	K21 S25	K21-I23 VanDerWaalsContact C-N 3.34Å; K21-I23 PolarHBondContact O-N 2.95Å; I23-S25 PolarHBondContact O-N 2.87Å
24	K	38.1	Very low	52.6	Low	195 Å²	195	130.4 Å²	130.4	85%	0.848	68%	0.675	S	S	*	*			trans	-68.3	91.1	159.5	-77.5	-172.8	176	-174.4	0	105.3	K22 G26	K22-K24 PolarHBondContact O-N 2.9Å; K24-G26 PolarHBondContact O-N 2.98Å
25	S	37.6	Very low	55.3	Low	102 Å²	102	127.1 Å²	127.1	71%	0.713	66%	0.656	S	S	*	*			trans	-70.6	73.4	160.6	59.1	0	0	0	0	107.2	I23 K27	I23-S25 PolarHBondContact O-N 2.87Å; S25-K27 VanDerWaalsContact C-N 3.34Å; S25-K27 PolarHBondContact O-N 3.06Å
26	G	39.8	Very low	58	Low	67 Å²	67	122.5 Å²	122.5	69%	0.691	62%	0.624	S	S	*	*			trans	-66.7	102.3	161.8	0	0	0	0	0	105.7	K24 M28	K24-G26 PolarHBondContact O-N 2.98Å; G26-M28 PolarHBondContact O-N 3.46Å; G26-M28 VanDerWaalsContact O-N 3.07Å
27	K	55	Low	60.4	Low	190 Å²	190	119.1 Å²	119.1	83%	0.826	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-54.1	118.5	161.8	-85.5	-177.7	173.1	-178.7	0	105.3	S25 A29	S25-K27 VanDerWaalsContact C-N 3.34Å; S25-K27 PolarHBondContact O-N 3.06Å; K27-A29 PolarHBondContact O-N 3.17Å
28	M	58.5	Low	63	Low	173 Å²	173	115.8 Å²	115.8	85%	0.852	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-61.2	120.7	171.7	-159.1	-174.4	-65.9	0	0	105.5	G26 S30	G26-M28 PolarHBondContact O-N 3.46Å; G26-M28 VanDerWaalsContact O-N 3.07Å; M28-S30 PolarHBondContact O-N 3.07Å
29	A	68.3	Low	65.8	Low	28 Å²	28	108.3 Å²	108.3	23%	0.231	55%	0.551	C	S	.	*	P	Polyproline II helix	trans	-55.1	140.4	179.9	0	0	0	0	0	109.2	K27 Y33 Q34	K27-A29 PolarHBondContact O-N 3.17Å; A29-Y33 HydrophobicContact CB-CD1 3.45Å; A29-Y33 VanDerWaalsContact CB-CD1 3.45Å; A29-Y33 HydrophobicContact CB-CE1 3.91Å; A29-Y33 HydrophobicContact CB-CG 4Å; A29-Q34 HydrophobicContact CB-CG 4.21Å; A29-Q34 PolarHBondContact O-NE2 2.96Å
30	S	85	Confident	68.6	Low	38 Å²	38	102.9 Å²	102.9	27%	0.266	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-54.8	151.9	-177.3	77.4	0	0	0	0	110.1	M28 Y32 Y33 Q34 E292	M28-S30 PolarHBondContact O-N 3.07Å; S30-Y32 PolarHBondContact O-N 2.79Å; S30-Y33 WeakPolarHBondContact O-CB 3.16Å; S30-Y33 PolarHBondContact O-N 2.76Å; S30-Y33 VanDerWaalsContact O-N 3.11Å; S30-Y33 WeakPolarHBondContact OG-CB 3.32Å; S30-Y33 PolarHBondContact OG-N 3.11Å; S30-Q34 PolarHBondContact O-N 2.96Å; S30-Q34 VanDerWaalsContact O-N 3.12Å; S30-E292 PolarHBondContact OG-OE1 2.99Å; S30-E292 VanDerWaalsContact OG-OE1 3.11Å
31	Q	89.6	Confident	71.4	Confident	145 Å²	145	100.9 Å²	100.9	68%	0.678	50%	0.498	S	S	*	.	H	α-helix	trans	-54.6	-41.6	175.1	178.7	178.9	-6.4	0	0	110.6	Y33 Q34 E35	Q31-Y33 PolarHBondContact O-N 2.77Å; Q31-Q34 PolarHBondContact O-N 3.21Å; Q31-E35 HydrophobicContact CG-CG 4.4Å; Q31-E35 VanDerWaalsContact CG-OE1 3.25Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.33Å; Q31-E35 PolarHBondContact NE2-OE1 3.17Å; Q31-E35 WeakPolarHBondContact O-CG 3.25Å; Q31-E35 PolarHBondContact O-N 2.73Å
32	Y	90.5	Very high	74.2	Confident	34 Å²	34	95.9 Å²	95.9	13%	0.133	48%	0.48	C	S	.	.	H	α-helix	trans	-59.5	-44.9	176.2	-177	-101	0	0	0	112.7	S30 Q34 E35 M36 D275 K277 M278 E292 L299	S30-Y32 PolarHBondContact O-N 2.79Å; Y32-Q34 VanDerWaalsContact C-N 3.33Å; Y32-Q34 PolarHBondContact O-N 3.12Å; Y32-E35 PolarHBondContact O-N 3.11Å; Y32-M36 HydrophobicContact CD1-CG 4.23Å; Y32-M36 HydrophobicContact CD2-CG 4.3Å; Y32-M36 HydrophobicContact CE1-CG 3.78Å; Y32-M36 HydrophobicContact CE2-CG 3.88Å; Y32-M36 HydrophobicContact CE2-SD 4.3Å; Y32-M36 HydrophobicContact CG-CG 4.48Å; Y32-M36 WeakPolarHBondContact O-CB 3.41Å; Y32-M36 WeakPolarHBondContact O-CG 3.34Å; Y32-M36 PolarHBondContact O-N 3.27Å; Y32-D275 PolarHBondContact OH-OD2 2.93Å; Y32-K277 HydrophobicContact CD2-CD 4.02Å; Y32-K277 HydrophobicContact CE1-CB 3.76Å; Y32-K277 HydrophobicContact CE1-CD 4.21Å; Y32-K277 HydrophobicContact CE2-CB 4.3Å; Y32-K277 HydrophobicContact CE2-CD 3.58Å; Y32-K277 HydrophobicContact CG-CD 4.48Å; Y32-K277 VanDerWaalsContact OH-CB 3.25Å; Y32-K277 WeakPolarHBondContact OH-CB 3.3Å; Y32-M278 HydrophobicContact CE1-CG 4.27Å; Y32-M278 WeakPolarHBondContact OH-CG 3.41Å; Y32-E292 HydrophobicContact CD1-CG 4.14Å; Y32-E292 WeakPolarHBondContact CD1-OE1 3.26Å; Y32-E292 HydrophobicContact CE1-CG 4.3Å; Y32-L299 HydrophobicContact CE1-CD1 4.41Å
33	Y	91.9	Very high	76.8	Confident	43 Å²	43	88.5 Å²	88.5	17%	0.169	45%	0.45	C	S	.	.	H	α-helix	trans	-57.4	-47.1	176.6	177.3	-80.9	0	0	0	111.4	A29 S30 Q31 M36 Q37 E297 K298 L299	A29-Y33 HydrophobicContact CB-CD1 3.45Å; A29-Y33 VanDerWaalsContact CB-CD1 3.45Å; A29-Y33 HydrophobicContact CB-CE1 3.91Å; A29-Y33 HydrophobicContact CB-CG 4Å; S30-Y33 WeakPolarHBondContact O-CB 3.16Å; S30-Y33 PolarHBondContact O-N 2.76Å; S30-Y33 VanDerWaalsContact O-N 3.11Å; S30-Y33 WeakPolarHBondContact OG-CB 3.32Å; S30-Y33 PolarHBondContact OG-N 3.11Å; Q31-Y33 PolarHBondContact O-N 2.77Å; Y33-M36 PolarHBondContact O-N 3.01Å; Y33-Q37 HydrophobicContact CD1-CG 4.12Å; Y33-Q37 HydrophobicContact CE1-CG 3.83Å; Y33-Q37 WeakPolarHBondContact O-CB 3.19Å; Y33-Q37 WeakPolarHBondContact O-CG 3.48Å; Y33-Q37 PolarHBondContact O-N 3.36Å; Y33-Q37 PolarHBondContact OH-NE2 3.27Å; Y33-E297 HydrophobicContact CD2-CB 4.21Å; Y33-E297 HydrophobicContact CE2-CB 3.92Å; Y33-K298 WeakPolarHBondContact CE2-O 3.37Å; Y33-L299 HydrophobicContact CD2-CD2 3.43Å; Y33-L299 VanDerWaalsContact CD2-CD2 3.43Å; Y33-L299 HydrophobicContact CE2-CD2 4.06Å; Y33-L299 HydrophobicContact CG-CD2 3.95Å
34	Q	92.6	Very high	79.4	Confident	102 Å²	102	84.7 Å²	84.7	48%	0.477	43%	0.431	S	S	.	.	H	α-helix	trans	-64.8	-45.4	-179.2	-63.8	177.5	23.3	0	0	111.4	A29 S30 Q31 Y32 M36 Q37 E38	A29-Q34 HydrophobicContact CB-CG 4.21Å; A29-Q34 PolarHBondContact O-NE2 2.96Å; S30-Q34 PolarHBondContact O-N 2.96Å; S30-Q34 VanDerWaalsContact O-N 3.12Å; Q31-Q34 PolarHBondContact O-N 3.21Å; Y32-Q34 VanDerWaalsContact C-N 3.33Å; Y32-Q34 PolarHBondContact O-N 3.12Å; Q34-M36 PolarHBondContact O-N 2.9Å; Q34-Q37 PolarHBondContact O-N 2.89Å; Q34-E38 WeakPolarHBondContact O-CB 3.43Å; Q34-E38 PolarHBondContact O-N 2.93Å
35	E	93.4	Very high	81.8	Confident	97 Å²	97	80 Å²	80	45%	0.453	41%	0.411	S	S	.	.	H	α-helix	trans	-59.6	-45.6	177.1	-73.9	172.6	-175.6	0	0	111.7	Q31 Y32 E38 S39	Q31-E35 HydrophobicContact CG-CG 4.4Å; Q31-E35 VanDerWaalsContact CG-OE1 3.25Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.33Å; Q31-E35 PolarHBondContact NE2-OE1 3.17Å; Q31-E35 WeakPolarHBondContact O-CG 3.25Å; Q31-E35 PolarHBondContact O-N 2.73Å; Y32-E35 PolarHBondContact O-N 3.11Å; E35-E38 PolarHBondContact O-N 3.16Å; E35-S39 WeakPolarHBondContact O-CB 3.19Å; E35-S39 PolarHBondContact O-N 2.8Å
36	M	93.6	Very high	84.3	Confident	21 Å²	21	77.5 Å²	77.5	10%	0.103	39%	0.393	C	S	.	.	H	α-helix	trans	-70.6	-38.2	-179.9	-73	-49.5	-45.7	0	0	112.5	Y32 Y33 Q34 E38 S39 F40 M278 L299 P318	Y32-M36 HydrophobicContact CD1-CG 4.23Å; Y32-M36 HydrophobicContact CD2-CG 4.3Å; Y32-M36 HydrophobicContact CE1-CG 3.78Å; Y32-M36 HydrophobicContact CE2-CG 3.88Å; Y32-M36 HydrophobicContact CE2-SD 4.3Å; Y32-M36 HydrophobicContact CG-CG 4.48Å; Y32-M36 WeakPolarHBondContact O-CB 3.41Å; Y32-M36 WeakPolarHBondContact O-CG 3.34Å; Y32-M36 PolarHBondContact O-N 3.27Å; Y33-M36 PolarHBondContact O-N 3.01Å; Q34-M36 PolarHBondContact O-N 2.9Å; M36-E38 VanDerWaalsContact C-N 3.32Å; M36-E38 PolarHBondContact O-N 3Å; M36-S39 PolarHBondContact O-N 3.19Å; M36-F40 HydrophobicContact CB-CD2 4.48Å; M36-F40 HydrophobicContact CB-CE2 4.29Å; M36-F40 HydrophobicContact CE-CD2 4.04Å; M36-F40 HydrophobicContact CE-CE1 4.12Å; M36-F40 HydrophobicContact CE-CE2 3.41Å; M36-F40 VanDerWaalsContact CE-CE2 3.41Å; M36-F40 HydrophobicContact CE-CZ 3.44Å; M36-F40 VanDerWaalsContact CE-CZ 3.44Å; M36-F40 WeakPolarHBondContact O-CD2 3.43Å; M36-F40 PolarHBondContact O-N 3.17Å; M36-M278 HydrophobicContact CE-CE 3.91Å; M36-M278 HydrophobicContact CE-SD 3.74Å; M36-M278 HydrophobicContact CG-SD 4.28Å; M36-M278 HydrophobicContact SD-SD 4.41Å; M36-L299 HydrophobicContact CB-CD1 4.39Å; M36-L299 HydrophobicContact CB-CD2 4.19Å; M36-P318 HydrophobicContact CE-CB 4.23Å
37	Q	93.1	Very high	86.7	Confident	50 Å²	50	77.5 Å²	77.5	23%	0.234	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-41.7	172.9	-78.4	-152.6	-26.5	0	0	112.4	Y33 Q34 R41 L299	Y33-Q37 HydrophobicContact CD1-CG 4.12Å; Y33-Q37 HydrophobicContact CE1-CG 3.83Å; Y33-Q37 WeakPolarHBondContact O-CB 3.19Å; Y33-Q37 WeakPolarHBondContact O-CG 3.48Å; Y33-Q37 PolarHBondContact O-N 3.36Å; Y33-Q37 PolarHBondContact OH-NE2 3.27Å; Q34-Q37 PolarHBondContact O-N 2.89Å; Q37-R41 VanDerWaalsContact O-CB 3.24Å; Q37-R41 WeakPolarHBondContact O-CB 3.31Å; Q37-R41 PolarHBondContact O-N 2.99Å; Q37-L299 PolarHBondContact NE2-O 3.08Å
38	E	93.3	Very high	88.4	Confident	120 Å²	120	73.4 Å²	73.4	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-66.5	-43.4	175.6	-173.9	170.7	-168	0	0	111.3	Q34 E35 M36 R41 N42	Q34-E38 WeakPolarHBondContact O-CB 3.43Å; Q34-E38 PolarHBondContact O-N 2.93Å; E35-E38 PolarHBondContact O-N 3.16Å; M36-E38 VanDerWaalsContact C-N 3.32Å; M36-E38 PolarHBondContact O-N 3Å; E38-R41 PolarHBondContact O-N 2.66Å; E38-N42 PolarHBondContact O-N 3.11Å; E38-N42 PolarHBondContact O-ND2 3.4Å
39	S	92.9	Very high	90	Very high	32 Å²	32	66.1 Å²	66.1	22%	0.224	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-50.1	176.4	-176.9	0	0	0	0	111.9	E35 M36 R41 N42 N43	E35-S39 WeakPolarHBondContact O-CB 3.19Å; E35-S39 PolarHBondContact O-N 2.8Å; M36-S39 PolarHBondContact O-N 3.19Å; S39-R41 VanDerWaalsContact C-N 3.34Å; S39-R41 PolarHBondContact O-N 3.47Å; S39-N42 PolarHBondContact O-N 2.9Å; S39-N43 VanDerWaalsContact O-CB 3.28Å; S39-N43 WeakPolarHBondContact O-CB 3.45Å; S39-N43 PolarHBondContact O-N 2.99Å; S39-N43 PolarHBondContact O-ND2 2.82Å; S39-N43 PolarHBondContact OG-ND2 3.33Å
40	F	93.8	Very high	91.1	Very high	1 Å²	1	69.8 Å²	69.8	0%	0.004	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-34.2	178.1	-69	-52.7	0	0	0	112.3	M36 N42 N43 N44 M278 I290 W300 W313 F343	M36-F40 HydrophobicContact CB-CD2 4.48Å; M36-F40 HydrophobicContact CB-CE2 4.29Å; M36-F40 HydrophobicContact CE-CD2 4.04Å; M36-F40 HydrophobicContact CE-CE1 4.12Å; M36-F40 HydrophobicContact CE-CE2 3.41Å; M36-F40 VanDerWaalsContact CE-CE2 3.41Å; M36-F40 HydrophobicContact CE-CZ 3.44Å; M36-F40 VanDerWaalsContact CE-CZ 3.44Å; M36-F40 WeakPolarHBondContact O-CD2 3.43Å; M36-F40 PolarHBondContact O-N 3.17Å; F40-N42 VanDerWaalsContact C-N 3.27Å; F40-N42 PolarHBondContact O-N 3.36Å; F40-N43 CarbonylContact O-C 3.57Å; F40-N43 VanDerWaalsContact O-C 3.3Å; F40-N43 PolarHBondContact O-N 3.26Å; F40-N44 WeakPolarHBondContact O-CA 3.4Å; F40-N44 VanDerWaalsContact O-CB 3.24Å; F40-N44 WeakPolarHBondContact O-CB 3.49Å; F40-N44 PolarHBondContact O-N 2.84Å; F40-M278 HydrophobicContact CE2-SD 3.77Å; F40-M278 HydrophobicContact CZ-CE 4.15Å; F40-M278 HydrophobicContact CZ-SD 3.69Å; F40-I290 HydrophobicContact CE1-CD1 4.48Å; F40-I290 HydrophobicContact CE2-CG2 4.21Å; F40-I290 HydrophobicContact CZ-CD1 4.3Å; F40-I290 HydrophobicContact CZ-CG2 4.31Å; F40-W300 HydrophobicContact CB-CB 4.3Å; F40-W300 HydrophobicContact CB-CD2 3.45Å; F40-W300 VanDerWaalsContact CB-CD2 3.45Å; F40-W300 HydrophobicContact CB-CE3 3.51Å; F40-W300 HydrophobicContact CB-CG 3.79Å; F40-W300 HydrophobicContact CB-CH2 4.45Å; F40-W300 HydrophobicContact CB-CZ2 4.42Å; F40-W300 HydrophobicContact CB-CZ3 4.02Å; F40-W300 HydrophobicContact CD2-CB 3.75Å; F40-W300 HydrophobicContact CD2-CG 4.17Å; F40-W300 HydrophobicContact CE2-CB 4.32Å; F40-W300 HydrophobicContact CG-CB 4.12Å; F40-W300 HydrophobicContact CG-CD2 4.22Å; F40-W300 HydrophobicContact CG-CE3 4.47Å; F40-W300 HydrophobicContact CG-CG 4.04Å; F40-W313 HydrophobicContact CE1-CH2 4.23Å; F40-W313 AromaticContact CZ-CH2 3.89Å; F40-W313 HydrophobicContact CZ-CH2 3.89Å; F40-F343 AromaticContact CD1-CE1 3.57Å; F40-F343 HydrophobicContact CD1-CE1 3.57Å; F40-F343 AromaticContact CD1-CZ 3.92Å; F40-F343 HydrophobicContact CD1-CZ 3.92Å; F40-F343 AromaticContact CE1-CE1 3.8Å; F40-F343 HydrophobicContact CE1-CE1 3.8Å; F40-F343 HydrophobicContact CG-CE1 4.47Å
41	R	91.9	Very high	91.5	Very high	146 Å²	146	68.2 Å²	68.2	55%	0.551	33%	0.33	S	S	*	.	H	α-helix	trans	-61.6	-36.7	173.6	-172.6	177.4	-69	140.9	2.7	112.3	Q37 E38 S39 W300	Q37-R41 VanDerWaalsContact O-CB 3.24Å; Q37-R41 WeakPolarHBondContact O-CB 3.31Å; Q37-R41 PolarHBondContact O-N 2.99Å; E38-R41 PolarHBondContact O-N 2.66Å; S39-R41 VanDerWaalsContact C-N 3.34Å; S39-R41 PolarHBondContact O-N 3.47Å; R41-W300 HydrophobicContact CB-CH2 3.94Å; R41-W300 HydrophobicContact CB-CZ3 4.11Å; R41-W300 HydrophobicContact CG-CH2 4.5Å
42	N	91.4	Very high	91.7	Very high	84 Å²	84	61.8 Å²	61.8	45%	0.449	30%	0.3	S	S	.	.	H	α-helix	trans	-83.3	-15.3	177.9	-66.4	-23.1	0	0	0	113.6	E38 S39 F40 N347	E38-N42 PolarHBondContact O-N 3.11Å; E38-N42 PolarHBondContact O-ND2 3.4Å; S39-N42 PolarHBondContact O-N 2.9Å; F40-N42 VanDerWaalsContact C-N 3.27Å; F40-N42 PolarHBondContact O-N 3.36Å; N42-N347 WeakPolarHBondContact O-CB 3.44Å; N42-N347 PolarHBondContact O-N 3.41Å; N42-N347 PolarHBondContact O-ND2 2.98Å; N42-N347 PolarHBondContact O-OD1 3.49Å
43	N	90.1	Very high	91.8	Very high	36 Å²	36	64.6 Å²	64.6	19%	0.193	32%	0.321	C	S	.	.	S	Bend	trans	-131.5	41.9	-174	-57.1	-33.3	0	0	0	112	S39 F40 G344 L345 P346	S39-N43 VanDerWaalsContact O-CB 3.28Å; S39-N43 WeakPolarHBondContact O-CB 3.45Å; S39-N43 PolarHBondContact O-N 2.99Å; S39-N43 PolarHBondContact O-ND2 2.82Å; S39-N43 PolarHBondContact OG-ND2 3.33Å; F40-N43 CarbonylContact O-C 3.57Å; F40-N43 VanDerWaalsContact O-C 3.3Å; F40-N43 PolarHBondContact O-N 3.26Å; N43-G344 CarbonylContact O-C 3.59Å; N43-G344 WeakPolarHBondContact O-CA 3.45Å; N43-G344 PolarHBondContact O-N 2.84Å; N43-L345 CarbonylContact C-O 3.59Å; N43-L345 WeakPolarHBondContact CA-O 3.49Å; N43-L345 WeakPolarHBondContact CB-O 3.45Å; N43-P346 WeakPolarHBondContact OD1-CA 3.49Å
44	N	88.1	Confident	91.8	Very high	74 Å²	74	63.1 Å²	63.1	40%	0.396	32%	0.318	S	S	.	.			trans	-89	2.6	-171.6	66.4	7.7	0	0	0	114.6	F40 W300 F343 N347	F40-N44 WeakPolarHBondContact O-CA 3.4Å; F40-N44 VanDerWaalsContact O-CB 3.24Å; F40-N44 WeakPolarHBondContact O-CB 3.49Å; F40-N44 PolarHBondContact O-N 2.84Å; N44-W300 HydrophobicContact CB-CZ2 3.94Å; N44-F343 HydrophobicContact CB-CE2 4.31Å; N44-F343 WeakPolarHBondContact O-CE2 3.43Å; N44-N347 PolarHBondContact OD1-OD1 2.83Å
45	K	87.2	Confident	91.8	Very high	98 Å²	98	60.9 Å²	60.9	43%	0.426	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	134.7	-179.1	-72.3	-176.9	-177.2	176.9	0	111	N347	K45-N347 PolarHBondContact NZ-O 3.41Å
46	S	89.6	Confident	91.9	Very high	48 Å²	48	56.2 Å²	56.2	34%	0.336	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.2	163.9	-66	0	0	0	0	110.1	Y322 L342	S46-Y322 WeakPolarHBondContact CB-OH 3.43Å; S46-Y322 PolarHBondContact OG-OH 3.02Å; S46-L342 CarbonylContact C-O 3.59Å; S46-L342 VanDerWaalsContact CA-O 3.28Å; S46-L342 WeakPolarHBondContact CA-O 3.48Å
47	R	91.1	Very high	92	Very high	67 Å²	67	57.6 Å²	57.6	25%	0.253	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.7	170.6	-72.5	-173.7	179.8	177.5	-17.9	110.4	F49 D85 K341 L342 L345 S349	R47-F49 HydrophobicContact CB-CE2 3.7Å; R47-F49 HydrophobicContact CB-CZ 3.79Å; R47-F49 WeakPolarHBondContact O-CD2 3.46Å; R47-F49 WeakPolarHBondContact O-CE2 3.36Å; R47-D85 PolarHBondContact NH1-O 2.92Å; R47-K341 CarbonylContact O-C 3.54Å; R47-K341 VanDerWaalsContact O-CA 3.24Å; R47-K341 WeakPolarHBondContact O-CA 3.3Å; R47-L342 PolarHBondContact N-O 3.37Å; R47-L342 PolarHBondContact O-N 3.02Å; R47-L345 HydrophobicContact CB-CD1 3.94Å; R47-L345 VanDerWaalsContact CD-CD1 3.47Å; R47-L345 HydrophobicContact CG-CD1 3.68Å; R47-S349 PolarHBondContact NH2-O 2.87Å; R47-S349 PolarHBondContact NH2-OG 3.42Å; R47-S349 PolarHBondContact NH2-OXT 2.83Å
48	E	91.6	Very high	92.1	Very high	105 Å²	105	55.4 Å²	55.4	49%	0.491	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140	179.8	-50.3	-169.9	159.1	0	0	111	K341	E48-K341 HydrophobicContact CB-CG 4.45Å; E48-K341 HydrophobicContact CG-CD 3.92Å; E48-K341 HydrophobicContact CG-CG 3.98Å; E48-K341 WeakPolarHBondContact OE1-CE 3.44Å; E48-K341 IonicContact OE1-NZ 2.76Å; E48-K341 PolarHBondContact OE1-NZ 2.57Å
49	F	91.8	Very high	92.3	Very high	19 Å²	19	50 Å²	50	8%	0.083	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	110.9	-178.4	-58.8	-85.4	0	0	0	108.3	R47 A51 R86 L87 V340 L342	R47-F49 HydrophobicContact CB-CE2 3.7Å; R47-F49 HydrophobicContact CB-CZ 3.79Å; R47-F49 WeakPolarHBondContact O-CD2 3.46Å; R47-F49 WeakPolarHBondContact O-CE2 3.36Å; F49-A51 PolarHBondContact O-N 3.36Å; F49-A51 VanDerWaalsContact O-N 3.1Å; F49-R86 HydrophobicContact CE1-CG 3.86Å; F49-R86 HydrophobicContact CZ-CG 4.46Å; F49-L87 HydrophobicContact CD1-CB 3.68Å; F49-L87 WeakPolarHBondContact CD1-O 3.25Å; F49-L87 HydrophobicContact CD2-CB 4.1Å; F49-L87 HydrophobicContact CD2-CD1 3.68Å; F49-L87 HydrophobicContact CD2-CG 4.18Å; F49-L87 HydrophobicContact CE1-CB 3.72Å; F49-L87 HydrophobicContact CE1-CG 4.46Å; F49-L87 VanDerWaalsContact CE1-N 3.25Å; F49-L87 WeakPolarHBondContact CE1-O 3.32Å; F49-L87 HydrophobicContact CE2-CB 4.14Å; F49-L87 HydrophobicContact CE2-CD1 3.92Å; F49-L87 HydrophobicContact CE2-CG 4.05Å; F49-L87 HydrophobicContact CG-CB 3.87Å; F49-L87 HydrophobicContact CG-CD1 4.1Å; F49-L87 HydrophobicContact CG-CG 4.44Å; F49-L87 HydrophobicContact CZ-CB 3.96Å; F49-L87 HydrophobicContact CZ-CG 4.19Å; F49-V340 WeakPolarHBondContact CB-O 3.44Å; F49-V340 WeakPolarHBondContact CD2-O 3.33Å; F49-V340 PolarHBondContact N-O 3.39Å; F49-V340 PolarHBondContact O-N 3.05Å; F49-L342 HydrophobicContact CE2-CB 3.91Å
50	P	91.3	Very high	92.6	Very high	105 Å²	105	49.1 Å²	49.1	68%	0.682	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.2	115.2	173.7	-23.1	33.6	0	0	0	109.8
51	A	92.1	Very high	92.8	Very high	5 Å²	5	50.1 Å²	50.1	4%	0.041	26%	0.255	C	S	.	.			trans	-110.6	-44.5	-172.4	0	0	0	0	0	112.1	F49 S78 F80 K89 G338 V340	F49-A51 PolarHBondContact O-N 3.36Å; F49-A51 VanDerWaalsContact O-N 3.1Å; A51-S78 PolarHBondContact O-OG 3.47Å; A51-F80 HydrophobicContact CB-CE2 4Å; A51-F80 HydrophobicContact CB-CZ 3.55Å; A51-K89 PolarHBondContact O-NZ 2.97Å; A51-G338 WeakPolarHBondContact CB-O 3.39Å; A51-G338 PolarHBondContact N-O 3.04Å; A51-V340 HydrophobicContact CB-CB 4.42Å; A51-V340 HydrophobicContact CB-CG2 3.72Å
52	H	94.2	Very high	93.1	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.046	23%	0.228	C	C	.	.			trans	-135.9	169.1	-166.5	-71.4	-80.8	0	0	0	112.3	A54 V56 S70 S72 D74 T76 S78 A337 G338	H52-A54 WeakPolarHBondContact CB-O 3.27Å; H52-V56 HydrophobicContact CB-CG2 4.32Å; H52-S70 PolarHBondContact CD2-OG 3Å; H52-S70 PolarHBondContact NE2-O 2.91Å; H52-S70 PolarHBondContact NE2-OG 3.08Å; H52-S72 VanDerWaalsContact ND1-CB 3.26Å; H52-S72 WeakPolarHBondContact ND1-CB 3.25Å; H52-D74 WeakPolarHBondContact CA-OD2 3.43Å; H52-D74 VanDerWaalsContact CB-OD2 3.23Å; H52-D74 WeakPolarHBondContact CB-OD2 3.27Å; H52-D74 IonicContact CE1-OD1 2.6Å; H52-D74 IonicContact CG-OD2 2.59Å; H52-D74 IonicContact ND1-OD1 3.76Å; H52-D74 PolarHBondContact ND1-OD1 2.94Å; H52-D74 VanDerWaalsContact ND1-OD1 3.12Å; H52-D74 IonicContact ND1-OD2 2.9Å; H52-D74 PolarHBondContact ND1-OD2 3.18Å; H52-T76 PolarHBondContact CE1-O 2.94Å; H52-T76 PolarHBondContact CE1-OG1 3.09Å; H52-T76 VanDerWaalsContact CE1-OG1 3.28Å; H52-T76 PolarHBondContact ND1-OG1 2.95Å; H52-T76 VanDerWaalsContact ND1-OG1 3.08Å; H52-S78 PolarHBondContact CE1-OG 3.34Å; H52-S78 VanDerWaalsContact CE1-OG 3.27Å; H52-S78 PolarHBondContact NE2-OG 2.83Å; H52-A337 CarbonylContact O-C 3.55Å; H52-A337 WeakPolarHBondContact O-CA 3.48Å; H52-G338 PolarHBondContact N-O 2.77Å; H52-G338 PolarHBondContact O-N 3.32Å
53	T	92.4	Very high	93.2	Very high	93 Å²	93	41.1 Å²	41.1	57%	0.571	22%	0.22	S	C	*	.	S	Bend	trans	-101	8.1	175.4	62.4	0	0	0	0	113.5	D74 E336	T53-D74 PolarHBondContact N-OD2 2.84Å; T53-E336 CarbonylContact C-O 3.57Å
54	A	92.1	Very high	93.5	Very high	13 Å²	13	41 Å²	41	11%	0.107	22%	0.22	C	C	.	.	S	Bend	trans	-152.4	177.2	173.9	0	0	0	0	0	108.8	H52 S72 F73 D74 E336 G338	H52-A54 WeakPolarHBondContact CB-O 3.27Å; A54-S72 PolarHBondContact O-OG 3.16Å; A54-S72 VanDerWaalsContact O-OG 3.07Å; A54-F73 HydrophobicContact CB-CB 4.02Å; A54-F73 HydrophobicContact CB-CD1 4.17Å; A54-D74 HydrophobicContact CB-CB 3.95Å; A54-E336 WeakPolarHBondContact CA-O 3.49Å; A54-E336 PolarHBondContact N-O 2.75Å; A54-G338 WeakPolarHBondContact O-CA 3.28Å; A54-G338 PolarHBondContact O-N 3.43Å
55	K	92	Very high	93.8	Very high	54 Å²	54	37.6 Å²	37.6	24%	0.235	20%	0.202	C	C	.	.			trans	-46.3	136.7	179.3	-169.4	171.3	-177.5	144	0	113.6	S72 F73 F309 D325	K55-S72 VanDerWaalsContact O-CA 3.3Å; K55-S72 WeakPolarHBondContact O-CA 3.44Å; K55-S72 VanDerWaalsContact O-CB 3.3Å; K55-S72 WeakPolarHBondContact O-CB 3.39Å; K55-S72 PolarHBondContact O-OG 3.46Å; K55-F73 PolarHBondContact O-N 3.39Å; K55-F309 HydrophobicContact CD-CE2 4.41Å; K55-F309 VanDerWaalsContact CE-CD2 3.41Å; K55-D325 WeakPolarHBondContact CD-OD1 3.49Å; K55-D325 VanDerWaalsContact CE-OD1 3.25Å; K55-D325 WeakPolarHBondContact CE-OD1 3.36Å; K55-D325 IonicContact NZ-OD1 2.77Å; K55-D325 PolarHBondContact NZ-OD1 2.76Å; K55-D325 IonicContact NZ-OD2 3.2Å; K55-D325 PolarHBondContact NZ-OD2 2.86Å
56	V	95.6	Very high	94.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.1	173.9	-178.4	0	0	0	0	108.4	H52 V59 G71 A323 V340	H52-V56 HydrophobicContact CB-CG2 4.32Å; V56-V59 HydrophobicContact CG1-CG1 3.95Å; V56-G71 WeakPolarHBondContact CG1-O 3.16Å; V56-A323 HydrophobicContact CB-CB 3.81Å; V56-A323 HydrophobicContact CG1-CB 3.73Å; V56-V340 HydrophobicContact CG1-CG2 4.44Å
57	H	95.6	Very high	94.5	Very high	50 Å²	50	40.8 Å²	40.8	23%	0.231	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-34	-178.4	-67.4	174.7	0	0	0	112.2	G71 F73 V100 D101	H57-G71 PolarHBondContact N-O 3.21Å; H57-F73 AromaticContact CE1-CD2 3.91Å; H57-V100 PolarHBondContact ND1-O 3.36Å; H57-D101 IonicContact CE1-OD1 3.12Å; H57-D101 PolarHBondContact CE1-OD1 3.26Å; H57-D101 IonicContact ND1-OD1 3.52Å; H57-D101 PolarHBondContact ND1-OD1 3.1Å
58	S	96.3	Very high	94.9	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	139.4	-171	-171.7	0	0	0	0	111.5	S70 G71 Q102 L103	S58-S70 CarbonylContact O-C 3.52Å; S58-S70 VanDerWaalsContact O-CA 3.27Å; S58-S70 WeakPolarHBondContact O-CA 3.44Å; S58-G71 PolarHBondContact N-O 2.78Å; S58-G71 PolarHBondContact O-N 3.23Å; S58-Q102 PolarHBondContact OG-OE1 2.68Å; S58-L103 PolarHBondContact OG-N 3.39Å; S58-L103 VanDerWaalsContact OG-N 3.14Å; S58-L103 PolarHBondContact OG-O 2.97Å
59	V	98	Very high	95.2	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	140.7	170.4	-58.7	0	0	0	0	110.3	V56 A69 T310 A312 A323 V340	V56-V59 HydrophobicContact CG1-CG1 3.95Å; V59-A69 WeakPolarHBondContact CA-O 3.35Å; V59-T310 HydrophobicContact CB-CG2 4.34Å; V59-T310 HydrophobicContact CG1-CG2 4.03Å; V59-T310 HydrophobicContact CG2-CG2 3.83Å; V59-T310 PolarHBondContact N-OG1 3.01Å; V59-A312 HydrophobicContact CG2-CB 4.07Å; V59-A323 HydrophobicContact CG1-CB 4.04Å; V59-V340 HydrophobicContact CG1-CG1 4.4Å; V59-V340 HydrophobicContact CG1-CG2 4.13Å
60	A	98.1	Very high	95.5	Very high	14 Å²	14	31.7 Å²	31.7	12%	0.116	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	145.5	178.5	0	0	0	0	0	111.7	L68 A69 L103 W105	A60-L68 WeakPolarHBondContact O-CD1 3.45Å; A60-A69 PolarHBondContact N-O 2.95Å; A60-A69 PolarHBondContact O-N 2.77Å; A60-L103 HydrophobicContact CB-CD2 3.96Å; A60-W105 VanDerWaalsContact C-CD1 3.47Å; A60-W105 VanDerWaalsContact O-CD1 3.27Å; A60-W105 PolarHBondContact O-NE1 3.36Å
61	W	98.1	Very high	95.8	Very high	21 Å²	21	26.7 Å²	26.7	8%	0.08	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143.6	174.8	-76.1	95.1	0	0	0	111.9	G65 L68 L82 L87 W105 A312 W313 H314 A321 L342	W61-G65 VanDerWaalsContact CZ3-O 3.25Å; W61-G65 WeakPolarHBondContact CZ3-O 3.4Å; W61-L68 HydrophobicContact CD2-CB 4.42Å; W61-L68 HydrophobicContact CD2-CD1 3.84Å; W61-L68 HydrophobicContact CE3-CB 4.27Å; W61-L68 HydrophobicContact CG-CD1 3.94Å; W61-L68 HydrophobicContact CH2-CB 4.3Å; W61-L68 HydrophobicContact CZ2-CB 4.49Å; W61-L68 HydrophobicContact CZ2-CD1 4.19Å; W61-L68 HydrophobicContact CZ3-CB 4.21Å; W61-L82 HydrophobicContact CH2-CB 4.19Å; W61-L82 HydrophobicContact CH2-CD1 4.39Å; W61-L82 HydrophobicContact CH2-CD2 3.78Å; W61-L82 HydrophobicContact CH2-CG 4.34Å; W61-L82 HydrophobicContact CZ3-CB 4.09Å; W61-L82 HydrophobicContact CZ3-CD2 4.02Å; W61-L87 HydrophobicContact CH2-CD2 4.32Å; W61-W105 WeakPolarHBondContact O-CB 3.44Å; W61-A312 PolarHBondContact NE1-O 3.21Å; W61-W313 VanDerWaalsContact CD1-O 3.25Å; W61-H314 HydrophobicContact CD2-CB 4.27Å; W61-H314 AromaticContact CE3-CD2 3.79Å; W61-H314 AromaticContact CH2-CD2 3.73Å; W61-H314 HydrophobicContact CZ2-CB 4.34Å; W61-H314 AromaticContact CZ3-CD2 3.57Å; W61-A321 HydrophobicContact CZ2-CB 4.13Å; W61-L342 HydrophobicContact CH2-CD1 4.43Å; W61-L342 HydrophobicContact CZ2-CD1 3.74Å
62	S	97.6	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.			trans	-63.1	149.3	164.5	64.1	0	0	0	0	110	D64 G65 R66 R67 P315	S62-D64 WeakPolarHBondContact CB-OD1 3.47Å; S62-D64 PolarHBondContact O-N 2.83Å; S62-D64 VanDerWaalsContact O-N 3.11Å; S62-D64 PolarHBondContact OG-OD1 2.88Å; S62-G65 WeakPolarHBondContact O-CA 3.38Å; S62-G65 PolarHBondContact O-N 3.46Å; S62-R66 PolarHBondContact OG-N 2.8Å; S62-R67 PolarHBondContact N-O 3.43Å; S62-R67 PolarHBondContact OG-N 2.92Å; S62-R67 PolarHBondContact OG-O 2.69Å; S62-P315 WeakPolarHBondContact O-CG 3.43Å
63	C	95.1	Very high	96.1	Very high	41 Å²	41	31.5 Å²	31.5	28%	0.277	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.9	-177.5	55.2	0	0	0	0	114.2	P107	C63-P107 WeakPolarHBondContact CB-O 3.5Å
64	D	95.3	Very high	96.2	Very high	34 Å²	34	28.5 Å²	28.5	18%	0.182	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-11.8	175.1	71.6	-10.3	0	0	0	114.1	S62 R66 P110 K316	S62-D64 WeakPolarHBondContact CB-OD1 3.47Å; S62-D64 PolarHBondContact O-N 2.83Å; S62-D64 VanDerWaalsContact O-N 3.11Å; S62-D64 PolarHBondContact OG-OD1 2.88Å; D64-R66 VanDerWaalsContact C-N 3.32Å; D64-R66 PolarHBondContact OD1-N 3.49Å; D64-R66 VanDerWaalsContact OD2-CD 3.22Å; D64-R66 WeakPolarHBondContact OD2-CD 3.21Å; D64-R66 WeakPolarHBondContact OD2-CG 3.35Å; D64-R66 IonicContact OD2-NE 3.9Å; D64-P110 HydrophobicContact CB-CB 3.99Å; D64-P110 VanDerWaalsContact CG-CB 3.45Å; D64-K316 WeakPolarHBondContact O-CE 3.47Å; D64-K316 PolarHBondContact O-NZ 2.83Å
65	G	94.9	Very high	96.5	Very high	2 Å²	2	32.2 Å²	32.2	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	77.7	6.1	-177.9	0	0	0	0	0	115	W61 S62 H314 P315	W61-G65 VanDerWaalsContact CZ3-O 3.25Å; W61-G65 WeakPolarHBondContact CZ3-O 3.4Å; S62-G65 WeakPolarHBondContact O-CA 3.38Å; S62-G65 PolarHBondContact O-N 3.46Å; G65-H314 PolarHBondContact O-NE2 2.99Å; G65-P315 VanDerWaalsContact CA-CG 3.49Å
66	R	94.8	Very high	96.7	Very high	177 Å²	177	29.8 Å²	29.8	67%	0.668	14%	0.136	S	C	*	.	S	Bend	trans	-80.4	-26.8	-177.4	-66.1	-174.8	-177.1	167.4	-0.2	112.9	S62 D64 I81 L82	S62-R66 PolarHBondContact OG-N 2.8Å; D64-R66 VanDerWaalsContact C-N 3.32Å; D64-R66 PolarHBondContact OD1-N 3.49Å; D64-R66 VanDerWaalsContact OD2-CD 3.22Å; D64-R66 WeakPolarHBondContact OD2-CD 3.21Å; D64-R66 WeakPolarHBondContact OD2-CG 3.35Å; D64-R66 IonicContact OD2-NE 3.9Å; R66-I81 WeakPolarHBondContact O-CA 3.42Å; R66-L82 PolarHBondContact O-N 3.34Å
67	R	97.1	Very high	96.8	Very high	37 Å²	37	29.9 Å²	29.9	14%	0.14	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.2	-175.2	-67.6	177.4	172.9	143.2	-3.1	111.8	S62 V79 F80 I81 E90 W105 D111	S62-R67 PolarHBondContact N-O 3.43Å; S62-R67 PolarHBondContact OG-N 2.92Å; S62-R67 PolarHBondContact OG-O 2.69Å; R67-V79 HydrophobicContact CB-CG1 4.22Å; R67-V79 HydrophobicContact CG-CG1 4.33Å; R67-F80 CarbonylContact C-O 3.59Å; R67-F80 WeakPolarHBondContact CA-O 3.44Å; R67-I81 HydrophobicContact CG-CG1 4.25Å; R67-E90 IonicContact CZ-OE1 2.86Å; R67-E90 IonicContact CZ-OE2 2.86Å; R67-E90 IonicContact NE-OE1 3.1Å; R67-E90 IonicContact NE-OE2 2.67Å; R67-E90 PolarHBondContact NE-OE2 3.09Å; R67-E90 IonicContact NH2-OE1 3.01Å; R67-E90 PolarHBondContact NH2-OE1 2.81Å; R67-E90 IonicContact NH2-OE2 3.46Å; R67-W105 HydrophobicContact CB-CH2 3.62Å; R67-W105 HydrophobicContact CB-CZ2 3.71Å; R67-W105 HydrophobicContact CG-CH2 4.38Å; R67-D111 IonicContact CZ-OD1 2.86Å; R67-D111 IonicContact NH1-OD1 3.65Å; R67-D111 PolarHBondContact NH1-OD1 3.25Å
68	L	98.1	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.3	169.4	-178	74.2	0	0	0	107.9	A60 W61 V79 F80 L87 A321 V340	A60-L68 WeakPolarHBondContact O-CD1 3.45Å; W61-L68 HydrophobicContact CD2-CB 4.42Å; W61-L68 HydrophobicContact CD2-CD1 3.84Å; W61-L68 HydrophobicContact CE3-CB 4.27Å; W61-L68 HydrophobicContact CG-CD1 3.94Å; W61-L68 HydrophobicContact CH2-CB 4.3Å; W61-L68 HydrophobicContact CZ2-CB 4.49Å; W61-L68 HydrophobicContact CZ2-CD1 4.19Å; W61-L68 HydrophobicContact CZ3-CB 4.21Å; L68-V79 CarbonylContact O-C 3.49Å; L68-V79 WeakPolarHBondContact O-CA 3.44Å; L68-F80 PolarHBondContact N-O 2.83Å; L68-F80 PolarHBondContact O-N 2.86Å; L68-L87 HydrophobicContact CB-CD2 4.23Å; L68-L87 HydrophobicContact CD2-CD1 3.54Å; L68-L87 HydrophobicContact CD2-CD2 4.39Å; L68-A321 HydrophobicContact CD1-CB 3.69Å; L68-A321 HydrophobicContact CD2-CB 3.87Å; L68-A321 HydrophobicContact CG-CB 4.49Å; L68-V340 HydrophobicContact CD2-CG1 3.56Å
69	A	98.3	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	148.5	172	0	0	0	0	0	110.4	V59 A60 S78 V79 L103 W105	V59-A69 WeakPolarHBondContact CA-O 3.35Å; A60-A69 PolarHBondContact N-O 2.95Å; A60-A69 PolarHBondContact O-N 2.77Å; A69-S78 CarbonylContact C-O 3.5Å; A69-S78 VanDerWaalsContact CA-O 3.27Å; A69-S78 WeakPolarHBondContact CA-O 3.47Å; A69-V79 HydrophobicContact CB-CG2 3.98Å; A69-L103 HydrophobicContact CB-CD1 3.74Å; A69-L103 HydrophobicContact CB-CD2 3.53Å; A69-L103 HydrophobicContact CB-CG 4.36Å; A69-W105 HydrophobicContact CB-CZ2 3.64Å
70	S	98.1	Very high	97	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.7	174.3	59.7	0	0	0	0	110.8	H52 S58 A77 S78	H52-S70 PolarHBondContact CD2-OG 3Å; H52-S70 PolarHBondContact NE2-O 2.91Å; H52-S70 PolarHBondContact NE2-OG 3.08Å; S58-S70 CarbonylContact O-C 3.52Å; S58-S70 VanDerWaalsContact O-CA 3.27Å; S58-S70 WeakPolarHBondContact O-CA 3.44Å; S70-A77 CarbonylContact O-C 2.94Å; S70-A77 WeakPolarHBondContact O-CA 3.46Å; S70-S78 PolarHBondContact N-O 2.51Å; S70-S78 PolarHBondContact O-N 3.32Å
71	G	97.5	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.5	173	0	0	0	0	0	111.3	V56 H57 S58	V56-G71 WeakPolarHBondContact CG1-O 3.16Å; H57-G71 PolarHBondContact N-O 3.21Å; S58-G71 PolarHBondContact N-O 2.78Å; S58-G71 PolarHBondContact O-N 3.23Å
72	S	96.9	Very high	96.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	159.6	-171.9	173.5	0	0	0	0	113.8	H52 A54 K55 D74 K75 T76 V100	H52-S72 VanDerWaalsContact ND1-CB 3.26Å; H52-S72 WeakPolarHBondContact ND1-CB 3.25Å; A54-S72 PolarHBondContact O-OG 3.16Å; A54-S72 VanDerWaalsContact O-OG 3.07Å; K55-S72 VanDerWaalsContact O-CA 3.3Å; K55-S72 WeakPolarHBondContact O-CA 3.44Å; K55-S72 VanDerWaalsContact O-CB 3.3Å; K55-S72 WeakPolarHBondContact O-CB 3.39Å; K55-S72 PolarHBondContact O-OG 3.46Å; S72-D74 WeakPolarHBondContact CB-OD1 3.32Å; S72-D74 PolarHBondContact O-N 2.94Å; S72-D74 PolarHBondContact OG-N 3.45Å; S72-D74 VanDerWaalsContact OG-N 3.08Å; S72-D74 PolarHBondContact OG-OD1 2.85Å; S72-K75 PolarHBondContact O-N 2.86Å; S72-K75 VanDerWaalsContact O-N 3.14Å; S72-T76 PolarHBondContact N-O 2.84Å; S72-V100 PolarHBondContact O-N 2.92Å
73	F	95.9	Very high	96.2	Very high	116 Å²	116	34.6 Å²	34.6	51%	0.509	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.6	165.6	-167.9	-100.4	0	0	0	113.6	A54 K55 H57 K75	A54-F73 HydrophobicContact CB-CB 4.02Å; A54-F73 HydrophobicContact CB-CD1 4.17Å; K55-F73 PolarHBondContact O-N 3.39Å; H57-F73 AromaticContact CE1-CD2 3.91Å; F73-K75 PolarHBondContact O-N 2.82Å
74	D	95.3	Very high	95.7	Very high	30 Å²	30	42.4 Å²	42.4	16%	0.16	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	6.9	174.8	76.7	7.4	0	0	0	114.3	H52 T53 A54 S72 T76	H52-D74 WeakPolarHBondContact CA-OD2 3.43Å; H52-D74 VanDerWaalsContact CB-OD2 3.23Å; H52-D74 WeakPolarHBondContact CB-OD2 3.27Å; H52-D74 IonicContact CE1-OD1 2.6Å; H52-D74 IonicContact CG-OD2 2.59Å; H52-D74 IonicContact ND1-OD1 3.76Å; H52-D74 PolarHBondContact ND1-OD1 2.94Å; H52-D74 VanDerWaalsContact ND1-OD1 3.12Å; H52-D74 IonicContact ND1-OD2 2.9Å; H52-D74 PolarHBondContact ND1-OD2 3.18Å; T53-D74 PolarHBondContact N-OD2 2.84Å; A54-D74 HydrophobicContact CB-CB 3.95Å; S72-D74 WeakPolarHBondContact CB-OD1 3.32Å; S72-D74 PolarHBondContact O-N 2.94Å; S72-D74 PolarHBondContact OG-N 3.45Å; S72-D74 VanDerWaalsContact OG-N 3.08Å; S72-D74 PolarHBondContact OG-OD1 2.85Å; D74-T76 VanDerWaalsContact CG-OG1 3.3Å; D74-T76 PolarHBondContact O-N 2.87Å; D74-T76 WeakPolarHBondContact OD1-CB 3.42Å; D74-T76 PolarHBondContact OD1-N 2.9Å; D74-T76 PolarHBondContact OD1-OG1 2.88Å; D74-T76 PolarHBondContact OD2-OG1 2.98Å
75	K	97.3	Very high	95	Very high	91 Å²	91	42 Å²	42	40%	0.396	19%	0.185	S	C	.	.	S	Bend	trans	70.8	16.5	175.3	-39.6	-179.8	174.6	-164.6	0	113.3	S72 F73 S97 D98	S72-K75 PolarHBondContact O-N 2.86Å; S72-K75 VanDerWaalsContact O-N 3.14Å; F73-K75 PolarHBondContact O-N 2.82Å; K75-S97 WeakPolarHBondContact CD-O 3.05Å; K75-S97 WeakPolarHBondContact CE-O 3.29Å; K75-S97 PolarHBondContact NZ-O 2.93Å; K75-D98 WeakPolarHBondContact CA-O 3.44Å; K75-D98 VanDerWaalsContact CB-O 3.3Å; K75-D98 WeakPolarHBondContact CB-O 2.97Å; K75-D98 WeakPolarHBondContact CG-O 3.43Å
76	T	97.3	Very high	94.7	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	157.8	-179.9	74.8	0	0	0	0	112.1	H52 S72 D74 N92 Y93 R94	H52-T76 PolarHBondContact CE1-O 2.94Å; H52-T76 PolarHBondContact CE1-OG1 3.09Å; H52-T76 VanDerWaalsContact CE1-OG1 3.28Å; H52-T76 PolarHBondContact ND1-OG1 2.95Å; H52-T76 VanDerWaalsContact ND1-OG1 3.08Å; S72-T76 PolarHBondContact N-O 2.84Å; D74-T76 VanDerWaalsContact CG-OG1 3.3Å; D74-T76 PolarHBondContact O-N 2.87Å; D74-T76 WeakPolarHBondContact OD1-CB 3.42Å; D74-T76 PolarHBondContact OD1-N 2.9Å; D74-T76 PolarHBondContact OD1-OG1 2.88Å; D74-T76 PolarHBondContact OD2-OG1 2.98Å; T76-N92 VanDerWaalsContact CB-OD1 3.28Å; T76-N92 WeakPolarHBondContact CB-OD1 3.45Å; T76-N92 PolarHBondContact OG1-OD1 3.23Å; T76-Y93 WeakPolarHBondContact CA-O 3.31Å; T76-Y93 WeakPolarHBondContact CB-O 3.3Å; T76-R94 HydrophobicContact CG2-CG 3.96Å
77	A	98.1	Very high	94.6	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.017	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.6	166	0	0	0	0	0	109.4	S70 Y93 L103 F113 T115	S70-A77 CarbonylContact O-C 2.94Å; S70-A77 WeakPolarHBondContact O-CA 3.46Å; A77-Y93 PolarHBondContact N-O 3.26Å; A77-Y93 WeakPolarHBondContact O-CD2 3.46Å; A77-Y93 PolarHBondContact O-N 3.29Å; A77-L103 HydrophobicContact CB-CD1 3.99Å; A77-F113 HydrophobicContact CB-CE2 4.23Å; A77-T115 HydrophobicContact CB-CG2 4.03Å
78	S	97.8	Very high	94.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.5	175.7	-65.5	0	0	0	0	110	A51 H52 A69 S70 K89	A51-S78 PolarHBondContact O-OG 3.47Å; H52-S78 PolarHBondContact CE1-OG 3.34Å; H52-S78 VanDerWaalsContact CE1-OG 3.27Å; H52-S78 PolarHBondContact NE2-OG 2.83Å; A69-S78 CarbonylContact C-O 3.5Å; A69-S78 VanDerWaalsContact CA-O 3.27Å; A69-S78 WeakPolarHBondContact CA-O 3.47Å; S70-S78 PolarHBondContact N-O 2.51Å; S70-S78 PolarHBondContact O-N 3.32Å; S78-K89 VanDerWaalsContact OG-CE 3.28Å; S78-K89 WeakPolarHBondContact OG-CE 3.27Å; S78-K89 PolarHBondContact OG-NZ 3.26Å
79	V	98.2	Very high	94.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.2	173.1	175.1	0	0	0	0	109.4	R67 L68 A69 E90 N91 Y93 W105 F113 V127	R67-V79 HydrophobicContact CB-CG1 4.22Å; R67-V79 HydrophobicContact CG-CG1 4.33Å; L68-V79 CarbonylContact O-C 3.49Å; L68-V79 WeakPolarHBondContact O-CA 3.44Å; A69-V79 HydrophobicContact CB-CG2 3.98Å; V79-E90 PolarHBondContact O-N 3Å; V79-N91 PolarHBondContact N-O 3.46Å; V79-N91 PolarHBondContact O-N 2.83Å; V79-N91 VanDerWaalsContact O-N 3.17Å; V79-Y93 HydrophobicContact CB-CE2 3.95Å; V79-Y93 HydrophobicContact CG2-CD2 3.97Å; V79-Y93 HydrophobicContact CG2-CE2 3.43Å; V79-Y93 VanDerWaalsContact CG2-CE2 3.43Å; V79-W105 HydrophobicContact CG1-CH2 4.07Å; V79-W105 HydrophobicContact CG1-CZ2 4.2Å; V79-W105 HydrophobicContact CG2-CH2 4.46Å; V79-W105 HydrophobicContact CG2-CZ2 4.39Å; V79-F113 HydrophobicContact CG2-CE1 3.99Å; V79-F113 HydrophobicContact CG2-CZ 4.08Å; V79-V127 HydrophobicContact CG1-CG1 4.4Å
80	F	97.8	Very high	94.1	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.022	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.3	-180	-57.3	-94.1	0	0	0	110.1	A51 R67 L68 L87 V88 K89	A51-F80 HydrophobicContact CB-CE2 4Å; A51-F80 HydrophobicContact CB-CZ 3.55Å; R67-F80 CarbonylContact C-O 3.59Å; R67-F80 WeakPolarHBondContact CA-O 3.44Å; L68-F80 PolarHBondContact N-O 2.83Å; L68-F80 PolarHBondContact O-N 2.86Å; F80-L87 HydrophobicContact CB-CB 4.06Å; F80-L87 HydrophobicContact CB-CD2 4.03Å; F80-L87 HydrophobicContact CB-CG 4.48Å; F80-L87 HydrophobicContact CD1-CB 4.2Å; F80-L87 HydrophobicContact CG-CB 4.34Å; F80-V88 CarbonylContact C-O 3.5Å; F80-V88 WeakPolarHBondContact CA-O 3.16Å; F80-K89 VanDerWaalsContact CD1-CA 3.5Å; F80-K89 HydrophobicContact CD1-CB 3.83Å; F80-K89 HydrophobicContact CD1-CG 4.28Å; F80-K89 HydrophobicContact CE1-CB 3.69Å; F80-K89 HydrophobicContact CE1-CD 4.16Å; F80-K89 HydrophobicContact CE1-CG 3.91Å; F80-K89 HydrophobicContact CZ-CD 4.38Å; F80-K89 HydrophobicContact CZ-CG 4.39Å
81	I	96.3	Very high	94	Very high	47 Å²	47	51.8 Å²	51.8	24%	0.241	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.9	165.9	-64.7	166.1	0	0	0	108.5	R66 R67 E83 L87 V88 E90	R66-I81 WeakPolarHBondContact O-CA 3.42Å; R67-I81 HydrophobicContact CG-CG1 4.25Å; I81-E83 HydrophobicContact CG2-CG 3.72Å; I81-E83 PolarHBondContact O-N 3.42Å; I81-L87 WeakPolarHBondContact O-CA 3.24Å; I81-V88 PolarHBondContact N-O 3.48Å; I81-V88 PolarHBondContact O-N 3.32Å; I81-E90 HydrophobicContact CD1-CB 4.05Å; I81-E90 VanDerWaalsContact CD1-CD 3.4Å; I81-E90 HydrophobicContact CD1-CG 3.69Å; I81-E90 HydrophobicContact CG1-CB 4.01Å; I81-E90 HydrophobicContact CG1-CG 4.09Å; I81-E90 VanDerWaalsContact CG1-OE2 3.3Å; I81-E90 WeakPolarHBondContact CG1-OE2 3.42Å
82	L	92.6	Very high	94	Very high	27 Å²	27	54.7 Å²	54.7	14%	0.141	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	101.6	170.5	-177.3	68.1	0	0	0	110.3	W61 R66 L87 L319 L342	W61-L82 HydrophobicContact CH2-CB 4.19Å; W61-L82 HydrophobicContact CH2-CD1 4.39Å; W61-L82 HydrophobicContact CH2-CD2 3.78Å; W61-L82 HydrophobicContact CH2-CG 4.34Å; W61-L82 HydrophobicContact CZ3-CB 4.09Å; W61-L82 HydrophobicContact CZ3-CD2 4.02Å; R66-L82 PolarHBondContact O-N 3.34Å; L82-L87 HydrophobicContact CB-CD2 4.12Å; L82-L87 HydrophobicContact CD1-CD2 3.94Å; L82-L87 HydrophobicContact CD1-CG 4.5Å; L82-L319 HydrophobicContact CD2-CD1 3.9Å; L82-L342 HydrophobicContact CD1-CD2 3.8Å
83	E	88.1	Confident	94	Very high	115 Å²	115	55.1 Å²	55.1	54%	0.537	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.3	174.4	-62.3	-166.5	167.4	0	0	110.7	I81 D85 R86	I81-E83 HydrophobicContact CG2-CG 3.72Å; I81-E83 PolarHBondContact O-N 3.42Å; E83-D85 VanDerWaalsContact C-N 3.26Å; E83-D85 PolarHBondContact O-N 3.13Å; E83-D85 VanDerWaalsContact O-N 3.13Å; E83-R86 PolarHBondContact N-O 3.13Å; E83-R86 PolarHBondContact O-N 2.9Å; E83-R86 VanDerWaalsContact O-O 3.09Å
84	K	83.8	Confident	94.1	Very high	205 Å²	205	58 Å²	58	89%	0.891	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.1	50.8	176	-61.5	-178	179.2	179.3	0	113	R86	K84-R86 PolarHBondContact O-N 2.9Å
85	D	81.8	Confident	94.1	Very high	25 Å²	25	58.4 Å²	58.4	13%	0.134	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	26.1	177.1	-59.7	-25.3	0	0	0	114.8	R47 E83 R317 L345 P346	R47-D85 PolarHBondContact NH1-O 2.92Å; E83-D85 VanDerWaalsContact C-N 3.26Å; E83-D85 PolarHBondContact O-N 3.13Å; E83-D85 VanDerWaalsContact O-N 3.13Å; D85-R317 IonicContact OD1-CZ 2.69Å; D85-R317 IonicContact OD1-NH1 2.76Å; D85-R317 PolarHBondContact OD1-NH1 2.87Å; D85-R317 IonicContact OD1-NH2 3.97Å; D85-R317 PolarHBondContact OD1-NH2 2.86Å; D85-R317 IonicContact OD2-NH2 3.97Å; D85-L345 HydrophobicContact CB-CD2 3.55Å; D85-L345 WeakPolarHBondContact O-CD1 3.37Å; D85-P346 WeakPolarHBondContact OD2-CD 3.11Å
86	R	87.2	Confident	94.1	Very high	160 Å²	160	54.9 Å²	54.9	60%	0.604	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.7	171.6	-169.9	-177.7	178	-171.8	-0.1	110	F49 E83 K84	F49-R86 HydrophobicContact CE1-CG 3.86Å; F49-R86 HydrophobicContact CZ-CG 4.46Å; E83-R86 PolarHBondContact N-O 3.13Å; E83-R86 PolarHBondContact O-N 2.9Å; E83-R86 VanDerWaalsContact O-O 3.09Å; K84-R86 PolarHBondContact O-N 2.9Å
87	L	92.9	Very high	94.1	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	128	169.5	-65.5	175.5	0	0	0	109.9	F49 W61 L68 F80 I81 L82 V340 L342	F49-L87 HydrophobicContact CD1-CB 3.68Å; F49-L87 WeakPolarHBondContact CD1-O 3.25Å; F49-L87 HydrophobicContact CD2-CB 4.1Å; F49-L87 HydrophobicContact CD2-CD1 3.68Å; F49-L87 HydrophobicContact CD2-CG 4.18Å; F49-L87 HydrophobicContact CE1-CB 3.72Å; F49-L87 HydrophobicContact CE1-CG 4.46Å; F49-L87 VanDerWaalsContact CE1-N 3.25Å; F49-L87 WeakPolarHBondContact CE1-O 3.32Å; F49-L87 HydrophobicContact CE2-CB 4.14Å; F49-L87 HydrophobicContact CE2-CD1 3.92Å; F49-L87 HydrophobicContact CE2-CG 4.05Å; F49-L87 HydrophobicContact CG-CB 3.87Å; F49-L87 HydrophobicContact CG-CD1 4.1Å; F49-L87 HydrophobicContact CG-CG 4.44Å; F49-L87 HydrophobicContact CZ-CB 3.96Å; F49-L87 HydrophobicContact CZ-CG 4.19Å; W61-L87 HydrophobicContact CH2-CD2 4.32Å; L68-L87 HydrophobicContact CB-CD2 4.23Å; L68-L87 HydrophobicContact CD2-CD1 3.54Å; L68-L87 HydrophobicContact CD2-CD2 4.39Å; F80-L87 HydrophobicContact CB-CB 4.06Å; F80-L87 HydrophobicContact CB-CD2 4.03Å; F80-L87 HydrophobicContact CB-CG 4.48Å; F80-L87 HydrophobicContact CD1-CB 4.2Å; F80-L87 HydrophobicContact CG-CB 4.34Å; I81-L87 WeakPolarHBondContact O-CA 3.24Å; L82-L87 HydrophobicContact CB-CD2 4.12Å; L82-L87 HydrophobicContact CD1-CD2 3.94Å; L82-L87 HydrophobicContact CD1-CG 4.5Å; L87-V340 HydrophobicContact CD1-CG1 4.38Å; L87-L342 HydrophobicContact CG-CD2 4.43Å
88	V	94.6	Very high	94.1	Very high	64 Å²	64	61.4 Å²	61.4	39%	0.388	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.4	173.9	-178.2	0	0	0	0	107.8	F80 I81 E90	F80-V88 CarbonylContact C-O 3.5Å; F80-V88 WeakPolarHBondContact CA-O 3.16Å; I81-V88 PolarHBondContact N-O 3.48Å; I81-V88 PolarHBondContact O-N 3.32Å; V88-E90 PolarHBondContact O-N 3.27Å
89	K	95	Very high	94.1	Very high	87 Å²	87	61.9 Å²	61.9	38%	0.378	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	116.4	-179.7	-168.4	165.3	-175.8	161.3	0	109.4	A51 S78 F80	A51-K89 PolarHBondContact O-NZ 2.97Å; S78-K89 VanDerWaalsContact OG-CE 3.28Å; S78-K89 WeakPolarHBondContact OG-CE 3.27Å; S78-K89 PolarHBondContact OG-NZ 3.26Å; F80-K89 VanDerWaalsContact CD1-CA 3.5Å; F80-K89 HydrophobicContact CD1-CB 3.83Å; F80-K89 HydrophobicContact CD1-CG 4.28Å; F80-K89 HydrophobicContact CE1-CB 3.69Å; F80-K89 HydrophobicContact CE1-CD 4.16Å; F80-K89 HydrophobicContact CE1-CG 3.91Å; F80-K89 HydrophobicContact CZ-CD 4.38Å; F80-K89 HydrophobicContact CZ-CG 4.39Å
90	E	94.9	Very high	94	Very high	62 Å²	62	61.9 Å²	61.9	29%	0.29	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-53.2	179.6	-169.8	-174.6	-175.4	0	0	109.7	R67 V79 I81 V88	R67-E90 IonicContact CZ-OE1 2.86Å; R67-E90 IonicContact CZ-OE2 2.86Å; R67-E90 IonicContact NE-OE1 3.1Å; R67-E90 IonicContact NE-OE2 2.67Å; R67-E90 PolarHBondContact NE-OE2 3.09Å; R67-E90 IonicContact NH2-OE1 3.01Å; R67-E90 PolarHBondContact NH2-OE1 2.81Å; R67-E90 IonicContact NH2-OE2 3.46Å; V79-E90 PolarHBondContact O-N 3Å; I81-E90 HydrophobicContact CD1-CB 4.05Å; I81-E90 VanDerWaalsContact CD1-CD 3.4Å; I81-E90 HydrophobicContact CD1-CG 3.69Å; I81-E90 HydrophobicContact CG1-CB 4.01Å; I81-E90 HydrophobicContact CG1-CG 4.09Å; I81-E90 VanDerWaalsContact CG1-OE2 3.3Å; I81-E90 WeakPolarHBondContact CG1-OE2 3.42Å; V88-E90 PolarHBondContact O-N 3.27Å
91	N	95.6	Very high	94	Very high	42 Å²	42	63.1 Å²	63.1	23%	0.225	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.2	-172.9	-73.7	-54.5	0	0	0	112.6	V79 Y93 T130	V79-N91 PolarHBondContact N-O 3.46Å; V79-N91 PolarHBondContact O-N 2.83Å; V79-N91 VanDerWaalsContact O-N 3.17Å; N91-Y93 HydrophobicContact CB-CD2 4.24Å; N91-Y93 HydrophobicContact CB-CE2 3.48Å; N91-Y93 VanDerWaalsContact CB-CE2 3.48Å; N91-Y93 PolarHBondContact ND2-OH 2.87Å; N91-T130 WeakPolarHBondContact ND2-CG2 3.36Å; N91-T130 WeakPolarHBondContact OD1-CG2 3.47Å
92	N	96.4	Very high	94	Very high	61 Å²	61	62.7 Å²	62.7	33%	0.326	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	109.3	170.3	-171.3	-13	0	0	0	109.3	T76	T76-N92 VanDerWaalsContact CB-OD1 3.28Å; T76-N92 WeakPolarHBondContact CB-OD1 3.45Å; T76-N92 PolarHBondContact OG1-OD1 3.23Å
93	Y	97.8	Very high	94.2	Very high	8 Å²	8	61.7 Å²	61.7	3%	0.031	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.5	-176.4	-62.7	-89.9	0	0	0	110.2	T76 A77 V79 N91 F113 W125 V127	T76-Y93 WeakPolarHBondContact CA-O 3.31Å; T76-Y93 WeakPolarHBondContact CB-O 3.3Å; A77-Y93 PolarHBondContact N-O 3.26Å; A77-Y93 WeakPolarHBondContact O-CD2 3.46Å; A77-Y93 PolarHBondContact O-N 3.29Å; V79-Y93 HydrophobicContact CB-CE2 3.95Å; V79-Y93 HydrophobicContact CG2-CD2 3.97Å; V79-Y93 HydrophobicContact CG2-CE2 3.43Å; V79-Y93 VanDerWaalsContact CG2-CE2 3.43Å; N91-Y93 HydrophobicContact CB-CD2 4.24Å; N91-Y93 HydrophobicContact CB-CE2 3.48Å; N91-Y93 VanDerWaalsContact CB-CE2 3.48Å; N91-Y93 PolarHBondContact ND2-OH 2.87Å; Y93-F113 HydrophobicContact CD1-CZ 4.32Å; Y93-F113 HydrophobicContact CD2-CE1 4.32Å; Y93-F113 AromaticContact CD2-CZ 3.68Å; Y93-F113 HydrophobicContact CD2-CZ 3.68Å; Y93-F113 HydrophobicContact CE1-CE1 4.46Å; Y93-F113 HydrophobicContact CE1-CZ 4.39Å; Y93-F113 AromaticContact CE2-CE1 3.97Å; Y93-F113 HydrophobicContact CE2-CE1 3.97Å; Y93-F113 AromaticContact CE2-CZ 3.8Å; Y93-F113 HydrophobicContact CE2-CZ 3.8Å; Y93-F113 AromaticContact CG-CZ 3.96Å; Y93-F113 HydrophobicContact CG-CZ 3.96Å; Y93-W125 AromaticContact CD1-CD2 3.99Å; Y93-W125 HydrophobicContact CD1-CD2 3.99Å; Y93-W125 AromaticContact CD1-CE3 3.38Å; Y93-W125 HydrophobicContact CD1-CE3 3.38Å; Y93-W125 AromaticContact CD1-CZ3 3.8Å; Y93-W125 HydrophobicContact CD1-CZ3 3.8Å; Y93-W125 HydrophobicContact CE1-CE3 4.17Å; Y93-W125 HydrophobicContact CG-CD2 4.37Å; Y93-W125 HydrophobicContact CG-CE3 4.1Å; Y93-W125 HydrophobicContact CG-CZ3 4.39Å; Y93-V127 VanDerWaalsContact OH-CA 3.31Å; Y93-V127 WeakPolarHBondContact OH-CA 3.1Å
94	R	96.9	Very high	94.7	Very high	178 Å²	178	57.1 Å²	57.1	67%	0.672	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.8	177.1	-62.7	-177.2	177.9	-85.5	-1	109.6	T76 W125	T76-R94 HydrophobicContact CG2-CG 3.96Å; R94-W125 WeakPolarHBondContact O-CH2 3.21Å
95	G	95.9	Very high	95.4	Very high	38 Å²	38	48.2 Å²	48.2	39%	0.392	24%	0.243	S	C	.	.			trans	157.7	-26.7	174.6	0	0	0	0	0	113.4	R123	G95-R123 VanDerWaalsContact O-CZ 3.28Å; G95-R123 PolarHBondContact O-NH2 3.33Å
96	H	97.9	Very high	96.1	Very high	16 Å²	16	47.9 Å²	47.9	7%	0.074	24%	0.24	C	C	.	.			trans	-66.8	144.4	173	-76.9	-65.5	0	0	0	111.5	V100 T115 S117 D119 T121 R123	H96-V100 HydrophobicContact CB-CG2 4.4Å; H96-T115 PolarHBondContact NE2-OG1 3.22Å; H96-S117 VanDerWaalsContact CE1-CB 3.41Å; H96-S117 WeakPolarHBondContact CE1-CB 3.39Å; H96-S117 WeakPolarHBondContact ND1-CB 3.45Å; H96-D119 WeakPolarHBondContact CA-OD2 3.44Å; H96-D119 WeakPolarHBondContact CB-OD2 3.33Å; H96-D119 IonicContact CE1-OD1 3.9Å; H96-D119 IonicContact CE1-OD2 3.98Å; H96-D119 IonicContact CG-OD2 3.5Å; H96-D119 IonicContact ND1-OD1 3.32Å; H96-D119 PolarHBondContact ND1-OD1 2.53Å; H96-D119 IonicContact ND1-OD2 2.82Å; H96-D119 PolarHBondContact ND1-OD2 2.89Å; H96-T121 PolarHBondContact CE1-OG1 2.96Å; H96-T121 PolarHBondContact ND1-OG1 2.83Å; H96-R123 VanDerWaalsContact CE1-CD 3.49Å; H96-R123 WeakPolarHBondContact CE1-CD 3.22Å; H96-R123 WeakPolarHBondContact NE2-CD 3.4Å
97	S	97.5	Very high	96.6	Very high	85 Å²	85	42.6 Å²	42.6	59%	0.594	23%	0.227	S	C	*	.	S	Bend	trans	-97.6	-3.9	174.7	52.6	0	0	0	0	113.4	K75 D119	K75-S97 WeakPolarHBondContact CD-O 3.05Å; K75-S97 WeakPolarHBondContact CE-O 3.29Å; K75-S97 PolarHBondContact NZ-O 2.93Å; S97-D119 PolarHBondContact N-OD2 3.41Å; S97-D119 WeakPolarHBondContact OG-CB 3.42Å
98	D	97.8	Very high	96.7	Very high	58 Å²	58	47 Å²	47	31%	0.31	25%	0.254	S	S	.	.	S	Bend	trans	-140	-179.3	175.4	-145.1	-14.1	0	0	0	112.1	K75 S117 D119	K75-D98 WeakPolarHBondContact CA-O 3.44Å; K75-D98 VanDerWaalsContact CB-O 3.3Å; K75-D98 WeakPolarHBondContact CB-O 2.97Å; K75-D98 WeakPolarHBondContact CG-O 3.43Å; D98-S117 PolarHBondContact O-OG 3.27Å; D98-D119 HydrophobicContact CB-CB 3.85Å
99	S	96.4	Very high	96.8	Very high	10 Å²	10	46.6 Å²	46.6	7%	0.07	25%	0.25	C	C	.	.			trans	-53	143.6	-179.3	58.5	0	0	0	0	112.5	D101 S117 G118	S99-D101 WeakPolarHBondContact CB-OD1 3.14Å; S99-D101 PolarHBondContact OG-OD1 2.99Å; S99-D101 PolarHBondContact OG-OD2 3.34Å; S99-S117 WeakPolarHBondContact O-CA 3.28Å; S99-S117 WeakPolarHBondContact O-CB 3.33Å; S99-S117 PolarHBondContact O-OG 2.81Å; S99-G118 PolarHBondContact O-N 2.83Å
100	V	97.9	Very high	96.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	106.3	168.5	179.3	0	0	0	0	107.4	H57 S72 H96 T115 A116	H57-V100 PolarHBondContact ND1-O 3.36Å; S72-V100 PolarHBondContact O-N 2.92Å; H96-V100 HydrophobicContact CB-CG2 4.4Å; V100-T115 HydrophobicContact CG1-CG2 4.05Å; V100-A116 WeakPolarHBondContact CA-O 3.27Å
101	D	96.1	Very high	96.9	Very high	31 Å²	31	43.6 Å²	43.6	17%	0.166	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-32.5	-169.3	-63.7	-35.1	0	0	0	112.5	H57 S99 A116 G118	H57-D101 IonicContact CE1-OD1 3.12Å; H57-D101 PolarHBondContact CE1-OD1 3.26Å; H57-D101 IonicContact ND1-OD1 3.52Å; H57-D101 PolarHBondContact ND1-OD1 3.1Å; S99-D101 WeakPolarHBondContact CB-OD1 3.14Å; S99-D101 PolarHBondContact OG-OD1 2.99Å; S99-D101 PolarHBondContact OG-OD2 3.34Å; D101-A116 PolarHBondContact N-O 3.19Å; D101-G118 PolarHBondContact OD2-N 3.25Å
102	Q	96.8	Very high	97	Very high	38 Å²	38	43.2 Å²	43.2	18%	0.178	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	145	176.4	-170.4	87.4	-70.2	0	0	110.4	S58 A116 I143 I145	S58-Q102 PolarHBondContact OG-OE1 2.68Å; Q102-A116 PolarHBondContact O-N 2.93Å; Q102-I143 WeakPolarHBondContact CB-O 3.41Å; Q102-I145 HydrophobicContact CB-CG1 3.85Å; Q102-I145 HydrophobicContact CG-CG1 3.65Å; Q102-I145 WeakPolarHBondContact O-CD1 3.11Å
103	L	97.6	Very high	97.1	Very high	5 Å²	5	40.3 Å²	40.3	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	138.5	175.8	-175.1	157.7	0	0	0	109.5	S58 A60 A69 A77 F113 V114 T115	S58-L103 PolarHBondContact OG-N 3.39Å; S58-L103 VanDerWaalsContact OG-N 3.14Å; S58-L103 PolarHBondContact OG-O 2.97Å; A60-L103 HydrophobicContact CB-CD2 3.96Å; A69-L103 HydrophobicContact CB-CD1 3.74Å; A69-L103 HydrophobicContact CB-CD2 3.53Å; A69-L103 HydrophobicContact CB-CG 4.36Å; A77-L103 HydrophobicContact CB-CD1 3.99Å; L103-F113 HydrophobicContact CD1-CD2 3.75Å; L103-F113 HydrophobicContact CD1-CE2 3.9Å; L103-F113 HydrophobicContact CD2-CB 4.47Å; L103-F113 HydrophobicContact CD2-CD2 4.17Å; L103-F113 HydrophobicContact CG-CD2 3.95Å; L103-V114 WeakPolarHBondContact CA-O 3.43Å; L103-T115 HydrophobicContact CB-CG2 4.32Å; L103-T115 HydrophobicContact CD1-CG2 3.6Å; L103-T115 HydrophobicContact CG-CG2 3.88Å
104	C	97.4	Very high	97.1	Very high	20 Å²	20	40 Å²	40	14%	0.135	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	143.7	169.5	57.8	0	0	0	0	111.9	F113 V114	C104-F113 WeakPolarHBondContact O-CA 3.4Å; C104-F113 WeakPolarHBondContact O-CB 3.26Å; C104-V114 PolarHBondContact N-O 3.24Å; C104-V114 PolarHBondContact O-N 2.84Å
105	W	98.4	Very high	97.2	Very high	17 Å²	17	31.5 Å²	31.5	6%	0.064	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	153.8	170.9	-71	85.9	0	0	0	110.8	A60 W61 R67 A69 V79 P110 F113 V127 W147	A60-W105 VanDerWaalsContact C-CD1 3.47Å; A60-W105 VanDerWaalsContact O-CD1 3.27Å; A60-W105 PolarHBondContact O-NE1 3.36Å; W61-W105 WeakPolarHBondContact O-CB 3.44Å; R67-W105 HydrophobicContact CB-CH2 3.62Å; R67-W105 HydrophobicContact CB-CZ2 3.71Å; R67-W105 HydrophobicContact CG-CH2 4.38Å; A69-W105 HydrophobicContact CB-CZ2 3.64Å; V79-W105 HydrophobicContact CG1-CH2 4.07Å; V79-W105 HydrophobicContact CG1-CZ2 4.2Å; V79-W105 HydrophobicContact CG2-CH2 4.46Å; V79-W105 HydrophobicContact CG2-CZ2 4.39Å; W105-P110 WeakPolarHBondContact CZ3-O 3.37Å; W105-F113 HydrophobicContact CD2-CB 3.84Å; W105-F113 HydrophobicContact CE3-CB 3.86Å; W105-F113 HydrophobicContact CE3-CD1 4.47Å; W105-F113 HydrophobicContact CG-CB 4.16Å; W105-F113 HydrophobicContact CH2-CD1 4.26Å; W105-F113 HydrophobicContact CZ3-CB 4.36Å; W105-F113 HydrophobicContact CZ3-CD1 4.13Å; W105-V127 HydrophobicContact CH2-CG2 3.77Å; W105-V127 HydrophobicContact CZ3-CG2 3.76Å; W105-W147 VanDerWaalsContact O-CD1 3.29Å
106	H	98.1	Very high	97.3	Very high	19 Å²	19	29.7 Å²	29.7	9%	0.088	17%	0.172	C	C	.	.			trans	-63.7	136.1	171.5	-173.7	-75.1	0	0	0	110.1	T108 N109 L112 W147 G151	H106-T108 VanDerWaalsContact C-N 3.27Å; H106-T108 PolarHBondContact CE1-OG1 3.29Å; H106-T108 PolarHBondContact ND1-N 2.77Å; H106-T108 PolarHBondContact ND1-OG1 2.96Å; H106-T108 PolarHBondContact O-N 2.85Å; H106-N109 HydrophobicContact CB-CB 4.05Å; H106-N109 VanDerWaalsContact ND1-CB 3.34Å; H106-N109 WeakPolarHBondContact ND1-CB 3.42Å; H106-N109 PolarHBondContact ND1-N 3.39Å; H106-L112 HydrophobicContact CB-CB 3.85Å; H106-L112 WeakPolarHBondContact CB-O 3.41Å; H106-L112 PolarHBondContact N-O 3.14Å; H106-W147 HydrophobicContact CB-CZ2 4.38Å; H106-W147 AromaticContact CD2-CH2 3.48Å; H106-W147 VanDerWaalsContact CD2-CH2 3.48Å; H106-W147 WeakPolarHBondContact CD2-CH2 3.32Å; H106-W147 AromaticContact CD2-CZ2 3.68Å; H106-W147 AromaticContact CD2-CZ3 3.7Å; H106-G151 PolarHBondContact NE2-O 3.28Å; H106-G151 VanDerWaalsContact NE2-O 3.16Å
107	P	95.9	Very high	97.3	Very high	49 Å²	49	28.9 Å²	28.9	32%	0.318	17%	0.168	S	C	.	.	S	Bend	trans	-63.7	-30.3	-170	23.4	-35.2	0	0	0	113.6	C63 W147 P149	C63-P107 WeakPolarHBondContact CB-O 3.5Å; P107-W147 HydrophobicContact CG-CB 4.21Å; P107-P149 WeakPolarHBondContact CG-O 3.49Å
108	T	95.9	Very high	97.3	Very high	100 Å²	100	25 Å²	25	61%	0.613	14%	0.142	S	C	*	.	S	Bend	trans	-121.9	-8.2	-176.8	61	0	0	0	0	115	H106	H106-T108 VanDerWaalsContact C-N 3.27Å; H106-T108 PolarHBondContact CE1-OG1 3.29Å; H106-T108 PolarHBondContact ND1-N 2.77Å; H106-T108 PolarHBondContact ND1-OG1 2.96Å; H106-T108 PolarHBondContact O-N 2.85Å
109	N	96.5	Very high	97.3	Very high	54 Å²	54	23.4 Å²	23.4	29%	0.289	13%	0.133	S	C	.	.			trans	-115.3	111	-176.3	-175.1	-21.5	0	0	0	108.4	H106 D111 L112	H106-N109 HydrophobicContact CB-CB 4.05Å; H106-N109 VanDerWaalsContact ND1-CB 3.34Å; H106-N109 WeakPolarHBondContact ND1-CB 3.42Å; H106-N109 PolarHBondContact ND1-N 3.39Å; N109-D111 PolarHBondContact O-N 2.66Å; N109-D111 PolarHBondContact OD1-N 3.09Å; N109-L112 HydrophobicContact CB-CB 4.49Å; N109-L112 HydrophobicContact CB-CD1 4.43Å; N109-L112 VanDerWaalsContact ND2-CD1 3.34Å; N109-L112 WeakPolarHBondContact ND2-CD1 3.27Å
110	P	96.6	Very high	97.3	Very high	35 Å²	35	27.5 Å²	27.5	23%	0.227	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-9.5	-173.7	30.3	-36.4	0	0	0	114	D64 W105	D64-P110 HydrophobicContact CB-CB 3.99Å; D64-P110 VanDerWaalsContact CG-CB 3.45Å; W105-P110 WeakPolarHBondContact CZ3-O 3.37Å
111	D	96.3	Very high	97.3	Very high	51 Å²	51	28.1 Å²	28.1	27%	0.273	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-4.5	-177	-67	-44.9	0	0	0	113.4	R67 N109 V127	R67-D111 IonicContact CZ-OD1 2.86Å; R67-D111 IonicContact NH1-OD1 3.65Å; R67-D111 PolarHBondContact NH1-OD1 3.25Å; N109-D111 PolarHBondContact O-N 2.66Å; N109-D111 PolarHBondContact OD1-N 3.09Å; D111-V127 WeakPolarHBondContact O-CG2 3.3Å; D111-V127 PolarHBondContact O-N 3.23Å
112	L	97.5	Very high	97.4	Very high	35 Å²	35	26.8 Å²	26.8	18%	0.183	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135.7	-178.1	-67.2	-179.7	0	0	0	112	H106 N109 W125 D126	H106-L112 HydrophobicContact CB-CB 3.85Å; H106-L112 WeakPolarHBondContact CB-O 3.41Å; H106-L112 PolarHBondContact N-O 3.14Å; N109-L112 HydrophobicContact CB-CB 4.49Å; N109-L112 HydrophobicContact CB-CD1 4.43Å; N109-L112 VanDerWaalsContact ND2-CD1 3.34Å; N109-L112 WeakPolarHBondContact ND2-CD1 3.27Å; L112-W125 WeakPolarHBondContact CA-O 3.32Å; L112-W125 WeakPolarHBondContact CD2-O 3.1Å; L112-D126 HydrophobicContact CD2-CB 3.87Å
113	F	98.3	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	162.8	170	70.9	-82.7	0	0	0	110.9	A77 V79 Y93 L103 C104 W105 T115 W125 V127	A77-F113 HydrophobicContact CB-CE2 4.23Å; V79-F113 HydrophobicContact CG2-CE1 3.99Å; V79-F113 HydrophobicContact CG2-CZ 4.08Å; Y93-F113 HydrophobicContact CD1-CZ 4.32Å; Y93-F113 HydrophobicContact CD2-CE1 4.32Å; Y93-F113 AromaticContact CD2-CZ 3.68Å; Y93-F113 HydrophobicContact CD2-CZ 3.68Å; Y93-F113 HydrophobicContact CE1-CE1 4.46Å; Y93-F113 HydrophobicContact CE1-CZ 4.39Å; Y93-F113 AromaticContact CE2-CE1 3.97Å; Y93-F113 HydrophobicContact CE2-CE1 3.97Å; Y93-F113 AromaticContact CE2-CZ 3.8Å; Y93-F113 HydrophobicContact CE2-CZ 3.8Å; Y93-F113 AromaticContact CG-CZ 3.96Å; Y93-F113 HydrophobicContact CG-CZ 3.96Å; L103-F113 HydrophobicContact CD1-CD2 3.75Å; L103-F113 HydrophobicContact CD1-CE2 3.9Å; L103-F113 HydrophobicContact CD2-CB 4.47Å; L103-F113 HydrophobicContact CD2-CD2 4.17Å; L103-F113 HydrophobicContact CG-CD2 3.95Å; C104-F113 WeakPolarHBondContact O-CA 3.4Å; C104-F113 WeakPolarHBondContact O-CB 3.26Å; W105-F113 HydrophobicContact CD2-CB 3.84Å; W105-F113 HydrophobicContact CE3-CB 3.86Å; W105-F113 HydrophobicContact CE3-CD1 4.47Å; W105-F113 HydrophobicContact CG-CB 4.16Å; W105-F113 HydrophobicContact CH2-CD1 4.26Å; W105-F113 HydrophobicContact CZ3-CB 4.36Å; W105-F113 HydrophobicContact CZ3-CD1 4.13Å; F113-T115 HydrophobicContact CD2-CG2 4.04Å; F113-T115 HydrophobicContact CE2-CG2 3.83Å; F113-W125 HydrophobicContact CD1-CB 3.82Å; F113-W125 HydrophobicContact CD2-CB 4.23Å; F113-W125 AromaticContact CD2-CD1 3.83Å; F113-W125 HydrophobicContact CD2-CG 4.31Å; F113-W125 HydrophobicContact CE1-CB 3.32Å; F113-W125 HydrophobicContact CE1-CG 4.05Å; F113-W125 HydrophobicContact CE2-CB 3.8Å; F113-W125 AromaticContact CE2-CD1 3.33Å; F113-W125 AromaticContact CE2-CG 3.65Å; F113-W125 HydrophobicContact CE2-CG 3.65Å; F113-W125 HydrophobicContact CG-CB 4.25Å; F113-W125 HydrophobicContact CZ-CB 3.32Å; F113-W125 AromaticContact CZ-CD1 3.7Å; F113-W125 HydrophobicContact CZ-CD2 4.31Å; F113-W125 AromaticContact CZ-CG 3.49Å; F113-W125 HydrophobicContact CZ-CG 3.49Å; F113-W125 VanDerWaalsContact CZ-CG 3.49Å; F113-W125 PolarHBondContact N-O 3.12Å; F113-W125 PolarHBondContact O-N 3Å; F113-V127 HydrophobicContact CD1-CG2 3.6Å; F113-V127 HydrophobicContact CE1-CG2 3.54Å
114	V	98.4	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.5	-176.1	-176.9	0	0	0	0	109.2	L103 C104 I122 R123 I124 I145 W147 I154	L103-V114 WeakPolarHBondContact CA-O 3.43Å; C104-V114 PolarHBondContact N-O 3.24Å; C104-V114 PolarHBondContact O-N 2.84Å; V114-I122 HydrophobicContact CG1-CG2 3.36Å; V114-R123 CarbonylContact C-O 3.3Å; V114-R123 VanDerWaalsContact CA-O 3.29Å; V114-R123 WeakPolarHBondContact CA-O 3.49Å; V114-I124 HydrophobicContact CG2-CG1 4.15Å; V114-I124 HydrophobicContact CG2-CG2 4.39Å; V114-I145 HydrophobicContact CB-CD1 4.18Å; V114-I145 HydrophobicContact CG1-CD1 3.93Å; V114-I145 VanDerWaalsContact O-CD1 3.26Å; V114-I145 WeakPolarHBondContact O-CD1 3.49Å; V114-W147 HydrophobicContact CG2-CH2 4.49Å; V114-W147 HydrophobicContact CG2-CZ2 3.36Å; V114-I154 HydrophobicContact CG1-CD1 4.28Å; V114-I154 HydrophobicContact CG1-CG2 4.43Å; V114-I154 HydrophobicContact CG2-CD1 3.8Å; V114-I154 HydrophobicContact CG2-CG1 4.44Å
115	T	98.5	Very high	97.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.5	175.5	54.5	0	0	0	0	110.8	A77 H96 V100 L103 F113 I122 R123 W125	A77-T115 HydrophobicContact CB-CG2 4.03Å; H96-T115 PolarHBondContact NE2-OG1 3.22Å; V100-T115 HydrophobicContact CG1-CG2 4.05Å; L103-T115 HydrophobicContact CB-CG2 4.32Å; L103-T115 HydrophobicContact CD1-CG2 3.6Å; L103-T115 HydrophobicContact CG-CG2 3.88Å; F113-T115 HydrophobicContact CD2-CG2 4.04Å; F113-T115 HydrophobicContact CE2-CG2 3.83Å; T115-I122 VanDerWaalsContact O-CA 3.32Å; T115-I122 WeakPolarHBondContact O-CA 3.38Å; T115-I122 WeakPolarHBondContact O-CG2 3.28Å; T115-R123 PolarHBondContact N-O 3.31Å; T115-R123 PolarHBondContact O-N 3.18Å; T115-W125 PolarHBondContact OG1-NE1 2.91Å
116	A	98	Very high	97.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	142.7	168.8	0	0	0	0	0	110.2	V100 D101 Q102 N142 I145	V100-A116 WeakPolarHBondContact CA-O 3.27Å; D101-A116 PolarHBondContact N-O 3.19Å; Q102-A116 PolarHBondContact O-N 2.93Å; A116-N142 HydrophobicContact CB-CB 3.71Å; A116-I145 HydrophobicContact CB-CB 4.28Å; A116-I145 HydrophobicContact CB-CD1 3.98Å; A116-I145 HydrophobicContact CB-CG1 3.98Å; A116-I145 HydrophobicContact CB-CG2 3.37Å
117	S	98	Very high	97.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.9	-177.9	176	0	0	0	0	112	H96 D98 S99 D119 K120 T121 N142	H96-S117 VanDerWaalsContact CE1-CB 3.41Å; H96-S117 WeakPolarHBondContact CE1-CB 3.39Å; H96-S117 WeakPolarHBondContact ND1-CB 3.45Å; D98-S117 PolarHBondContact O-OG 3.27Å; S99-S117 WeakPolarHBondContact O-CA 3.28Å; S99-S117 WeakPolarHBondContact O-CB 3.33Å; S99-S117 PolarHBondContact O-OG 2.81Å; S117-D119 WeakPolarHBondContact CB-OD1 3.4Å; S117-D119 PolarHBondContact O-N 2.84Å; S117-D119 VanDerWaalsContact O-N 3.1Å; S117-D119 PolarHBondContact OG-N 2.78Å; S117-D119 PolarHBondContact OG-OD1 3.26Å; S117-K120 PolarHBondContact O-N 2.72Å; S117-T121 PolarHBondContact N-O 3.06Å; S117-N142 PolarHBondContact O-N 3.38Å
118	G	97.1	Very high	97.3	Very high	4 Å²	4	32.7 Å²	32.7	4%	0.041	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-14.3	166.4	0	0	0	0	0	114.2	S99 D101 K120	S99-G118 PolarHBondContact O-N 2.83Å; D101-G118 PolarHBondContact OD2-N 3.25Å; G118-K120 PolarHBondContact O-N 2.95Å
119	D	97.4	Very high	97.3	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	8.1	174.8	71.8	10	0	0	0	114.9	H96 S97 D98 S117 T121	H96-D119 WeakPolarHBondContact CA-OD2 3.44Å; H96-D119 WeakPolarHBondContact CB-OD2 3.33Å; H96-D119 IonicContact CE1-OD1 3.9Å; H96-D119 IonicContact CE1-OD2 3.98Å; H96-D119 IonicContact CG-OD2 3.5Å; H96-D119 IonicContact ND1-OD1 3.32Å; H96-D119 PolarHBondContact ND1-OD1 2.53Å; H96-D119 IonicContact ND1-OD2 2.82Å; H96-D119 PolarHBondContact ND1-OD2 2.89Å; S97-D119 PolarHBondContact N-OD2 3.41Å; S97-D119 WeakPolarHBondContact OG-CB 3.42Å; D98-D119 HydrophobicContact CB-CB 3.85Å; S117-D119 WeakPolarHBondContact CB-OD1 3.4Å; S117-D119 PolarHBondContact O-N 2.84Å; S117-D119 VanDerWaalsContact O-N 3.1Å; S117-D119 PolarHBondContact OG-N 2.78Å; S117-D119 PolarHBondContact OG-OD1 3.26Å; D119-T121 VanDerWaalsContact CG-OG1 3.28Å; D119-T121 PolarHBondContact O-N 2.84Å; D119-T121 WeakPolarHBondContact OD1-CA 3.31Å; D119-T121 VanDerWaalsContact OD1-CB 3.28Å; D119-T121 WeakPolarHBondContact OD1-CB 3.2Å; D119-T121 PolarHBondContact OD1-N 2.91Å; D119-T121 PolarHBondContact OD1-OG1 3.5Å; D119-T121 PolarHBondContact OD2-OG1 3.23Å
120	K	96.8	Very high	97.2	Very high	96 Å²	96	31.2 Å²	31.2	42%	0.417	15%	0.153	S	C	.	.	S	Bend	trans	63	24.7	-179.1	-43.1	-173.8	179.8	-171.6	0	112.5	S117 G118 T138 G140	S117-K120 PolarHBondContact O-N 2.72Å; G118-K120 PolarHBondContact O-N 2.95Å; K120-T138 PolarHBondContact O-N 3.41Å; K120-T138 PolarHBondContact O-OG1 3.4Å; K120-T138 VanDerWaalsContact O-OG1 3.12Å; K120-G140 WeakPolarHBondContact CA-O 3.46Å; K120-G140 WeakPolarHBondContact CB-O 3.18Å
121	T	97.3	Very high	97	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.08	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151	172.4	77.8	0	0	0	0	111.3	H96 S117 D119 T135 V136 N137 N142	H96-T121 PolarHBondContact CE1-OG1 2.96Å; H96-T121 PolarHBondContact ND1-OG1 2.83Å; S117-T121 PolarHBondContact N-O 3.06Å; D119-T121 VanDerWaalsContact CG-OG1 3.28Å; D119-T121 PolarHBondContact O-N 2.84Å; D119-T121 WeakPolarHBondContact OD1-CA 3.31Å; D119-T121 VanDerWaalsContact OD1-CB 3.28Å; D119-T121 WeakPolarHBondContact OD1-CB 3.2Å; D119-T121 PolarHBondContact OD1-N 2.91Å; D119-T121 PolarHBondContact OD1-OG1 3.5Å; D119-T121 PolarHBondContact OD2-OG1 3.23Å; T121-T135 HydrophobicContact CG2-CG2 4.05Å; T121-V136 WeakPolarHBondContact CA-O 3.24Å; T121-N137 WeakPolarHBondContact CG2-OD1 3.28Å; T121-N142 PolarHBondContact N-ND2 3.24Å; T121-N142 PolarHBondContact O-ND2 2.87Å; T121-N142 VanDerWaalsContact O-ND2 3.1Å
122	I	97.9	Very high	97.1	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138	163.7	-23	-179.4	0	0	0	107	V114 T115 T135 V136 T138 I145 V156 I166	V114-I122 HydrophobicContact CG1-CG2 3.36Å; T115-I122 VanDerWaalsContact O-CA 3.32Å; T115-I122 WeakPolarHBondContact O-CA 3.38Å; T115-I122 WeakPolarHBondContact O-CG2 3.28Å; I122-T135 WeakPolarHBondContact O-CA 3.38Å; I122-V136 PolarHBondContact N-O 2.95Å; I122-V136 PolarHBondContact O-N 3.31Å; I122-T138 HydrophobicContact CD1-CG2 3.71Å; I122-T138 HydrophobicContact CG1-CG2 3.61Å; I122-I145 HydrophobicContact CG2-CG2 4.29Å; I122-V156 HydrophobicContact CD1-CB 3.73Å; I122-V156 HydrophobicContact CD1-CG1 3.51Å; I122-V156 HydrophobicContact CD1-CG2 4.02Å; I122-I166 HydrophobicContact CD1-CD1 3.12Å; I122-I166 HydrophobicContact CG1-CD1 4.23Å
123	R	98.3	Very high	97	Very high	44 Å²	44	37.6 Å²	37.6	17%	0.166	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.7	178	-67.6	179.6	-178.9	-105.2	-1.8	110.3	G95 H96 V114 T115 W125 A134 T135	G95-R123 VanDerWaalsContact O-CZ 3.28Å; G95-R123 PolarHBondContact O-NH2 3.33Å; H96-R123 VanDerWaalsContact CE1-CD 3.49Å; H96-R123 WeakPolarHBondContact CE1-CD 3.22Å; H96-R123 WeakPolarHBondContact NE2-CD 3.4Å; V114-R123 CarbonylContact C-O 3.3Å; V114-R123 VanDerWaalsContact CA-O 3.29Å; V114-R123 WeakPolarHBondContact CA-O 3.49Å; T115-R123 PolarHBondContact N-O 3.31Å; T115-R123 PolarHBondContact O-N 3.18Å; R123-W125 HydrophobicContact CB-CZ2 3.78Å; R123-W125 VanDerWaalsContact CD-CZ2 3.41Å; R123-W125 HydrophobicContact CG-CZ2 4.24Å; R123-A134 WeakPolarHBondContact CA-O 3.44Å; R123-T135 HydrophobicContact CG-CG2 4.12Å; R123-T135 PolarHBondContact NH1-OG1 2.96Å
124	I	98.1	Very high	96.9	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.031	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.3	174.7	-52.8	178.2	0	0	0	107	V114 C132 V133 A134 I154 H171	V114-I124 HydrophobicContact CG2-CG1 4.15Å; V114-I124 HydrophobicContact CG2-CG2 4.39Å; I124-C132 CarbonylContact O-C 3.46Å; I124-V133 HydrophobicContact CG2-CB 4.43Å; I124-V133 PolarHBondContact O-N 3.01Å; I124-A134 HydrophobicContact CB-CB 4.44Å; I124-A134 HydrophobicContact CD1-CB 4.29Å; I124-A134 PolarHBondContact N-O 3.05Å; I124-A134 PolarHBondContact O-N 3.16Å; I124-I154 HydrophobicContact CD1-CD1 3.85Å; I124-I154 HydrophobicContact CG1-CD1 4.2Å; I124-H171 WeakPolarHBondContact CD1-ND1 3.37Å
125	W	98.2	Very high	96.9	Very high	9 Å²	9	41.2 Å²	41.2	3%	0.034	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.6	-173.2	-58	95.4	0	0	0	110.8	Y93 R94 L112 F113 T115 R123 C132	Y93-W125 AromaticContact CD1-CD2 3.99Å; Y93-W125 HydrophobicContact CD1-CD2 3.99Å; Y93-W125 AromaticContact CD1-CE3 3.38Å; Y93-W125 HydrophobicContact CD1-CE3 3.38Å; Y93-W125 AromaticContact CD1-CZ3 3.8Å; Y93-W125 HydrophobicContact CD1-CZ3 3.8Å; Y93-W125 HydrophobicContact CE1-CE3 4.17Å; Y93-W125 HydrophobicContact CG-CD2 4.37Å; Y93-W125 HydrophobicContact CG-CE3 4.1Å; Y93-W125 HydrophobicContact CG-CZ3 4.39Å; R94-W125 WeakPolarHBondContact O-CH2 3.21Å; L112-W125 WeakPolarHBondContact CA-O 3.32Å; L112-W125 WeakPolarHBondContact CD2-O 3.1Å; F113-W125 HydrophobicContact CD1-CB 3.82Å; F113-W125 HydrophobicContact CD2-CB 4.23Å; F113-W125 AromaticContact CD2-CD1 3.83Å; F113-W125 HydrophobicContact CD2-CG 4.31Å; F113-W125 HydrophobicContact CE1-CB 3.32Å; F113-W125 HydrophobicContact CE1-CG 4.05Å; F113-W125 HydrophobicContact CE2-CB 3.8Å; F113-W125 AromaticContact CE2-CD1 3.33Å; F113-W125 AromaticContact CE2-CG 3.65Å; F113-W125 HydrophobicContact CE2-CG 3.65Å; F113-W125 HydrophobicContact CG-CB 4.25Å; F113-W125 HydrophobicContact CZ-CB 3.32Å; F113-W125 AromaticContact CZ-CD1 3.7Å; F113-W125 HydrophobicContact CZ-CD2 4.31Å; F113-W125 AromaticContact CZ-CG 3.49Å; F113-W125 HydrophobicContact CZ-CG 3.49Å; F113-W125 VanDerWaalsContact CZ-CG 3.49Å; F113-W125 PolarHBondContact N-O 3.12Å; F113-W125 PolarHBondContact O-N 3Å; T115-W125 PolarHBondContact OG1-NE1 2.91Å; R123-W125 HydrophobicContact CB-CZ2 3.78Å; R123-W125 VanDerWaalsContact CD-CZ2 3.41Å; R123-W125 HydrophobicContact CG-CZ2 4.24Å; W125-C132 HydrophobicContact CD2-CB 4.47Å; W125-C132 HydrophobicContact CE3-CB 3.78Å; W125-C132 HydrophobicContact CH2-CB 4.05Å; W125-C132 HydrophobicContact CZ3-CB 3.54Å
126	D	97	Very high	96.8	Very high	27 Å²	27	41.9 Å²	41.9	14%	0.144	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.6	170	174.7	-37.7	0	0	0	108.5	L112 R128 T129 T130 K131 V133	L112-D126 HydrophobicContact CD2-CB 3.87Å; D126-R128 WeakPolarHBondContact OD1-CA 3.42Å; D126-R128 VanDerWaalsContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CB 3.25Å; D126-R128 PolarHBondContact OD1-N 2.97Å; D126-T129 WeakPolarHBondContact CB-OG1 3.48Å; D126-T129 PolarHBondContact OD1-N 3.34Å; D126-T129 PolarHBondContact OD1-OG1 3.42Å; D126-T130 WeakPolarHBondContact O-CA 3.26Å; D126-T130 PolarHBondContact O-N 3.37Å; D126-K131 PolarHBondContact N-O 3.21Å; D126-K131 PolarHBondContact O-N 3Å; D126-V133 HydrophobicContact CB-CG2 3.44Å; D126-V133 VanDerWaalsContact CB-CG2 3.44Å
127	V	96.4	Very high	96.7	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.018	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-32.2	-176.1	-176.7	0	0	0	0	112.4	V79 Y93 W105 D111 F113 T129 T130	V79-V127 HydrophobicContact CG1-CG1 4.4Å; Y93-V127 VanDerWaalsContact OH-CA 3.31Å; Y93-V127 WeakPolarHBondContact OH-CA 3.1Å; W105-V127 HydrophobicContact CH2-CG2 3.77Å; W105-V127 HydrophobicContact CZ3-CG2 3.76Å; D111-V127 WeakPolarHBondContact O-CG2 3.3Å; D111-V127 PolarHBondContact O-N 3.23Å; F113-V127 HydrophobicContact CD1-CG2 3.6Å; F113-V127 HydrophobicContact CE1-CG2 3.54Å; V127-T129 VanDerWaalsContact C-N 3.31Å; V127-T129 PolarHBondContact O-N 3.09Å; V127-T130 WeakPolarHBondContact O-CG2 3.48Å; V127-T130 PolarHBondContact O-N 2.98Å
128	R	95.2	Very high	96.6	Very high	183 Å²	183	49 Å²	49	69%	0.691	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-36.1	179.2	-176.4	-173.5	65.6	101.9	3.4	111.3	D126	D126-R128 WeakPolarHBondContact OD1-CA 3.42Å; D126-R128 VanDerWaalsContact OD1-CB 3.28Å; D126-R128 WeakPolarHBondContact OD1-CB 3.25Å; D126-R128 PolarHBondContact OD1-N 2.97Å
129	T	94.8	Very high	96.3	Very high	48 Å²	48	55.2 Å²	55.2	29%	0.294	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-6.9	179.6	66.4	0	0	0	0	114.1	D126 V127 K131	D126-T129 WeakPolarHBondContact CB-OG1 3.48Å; D126-T129 PolarHBondContact OD1-N 3.34Å; D126-T129 PolarHBondContact OD1-OG1 3.42Å; V127-T129 VanDerWaalsContact C-N 3.31Å; V127-T129 PolarHBondContact O-N 3.09Å; T129-K131 WeakPolarHBondContact O-CG 3.4Å; T129-K131 PolarHBondContact O-N 3Å
130	T	94.5	Very high	96	Very high	76 Å²	76	54.1 Å²	54.1	47%	0.466	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	33.3	-175.9	64	0	0	0	0	113.9	N91 D126 V127	N91-T130 WeakPolarHBondContact ND2-CG2 3.36Å; N91-T130 WeakPolarHBondContact OD1-CG2 3.47Å; D126-T130 WeakPolarHBondContact O-CA 3.26Å; D126-T130 PolarHBondContact O-N 3.37Å; V127-T130 WeakPolarHBondContact O-CG2 3.48Å; V127-T130 PolarHBondContact O-N 2.98Å
131	K	93.8	Very high	95.9	Very high	141 Å²	141	52.9 Å²	52.9	61%	0.613	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.9	-174	-75.3	172.5	-174.1	-176.5	0	112.5	D126 T129 V133	D126-K131 PolarHBondContact N-O 3.21Å; D126-K131 PolarHBondContact O-N 3Å; T129-K131 WeakPolarHBondContact O-CG 3.4Å; T129-K131 PolarHBondContact O-N 3Å; K131-V133 PolarHBondContact O-N 3.24Å
132	C	96.8	Very high	95.8	Very high	42 Å²	42	52.3 Å²	52.3	28%	0.284	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	111.4	164.3	-168.4	0	0	0	0	107.8	I124 W125 A134 T135	I124-C132 CarbonylContact O-C 3.46Å; W125-C132 HydrophobicContact CD2-CB 4.47Å; W125-C132 HydrophobicContact CE3-CB 3.78Å; W125-C132 HydrophobicContact CH2-CB 4.05Å; W125-C132 HydrophobicContact CZ3-CB 3.54Å; C132-A134 PolarHBondContact SG-O 3.34Å; C132-A134 VanDerWaalsContact SG-O 3.37Å; C132-T135 PolarHBondContact SG-OG1 3.15Å; C132-T135 VanDerWaalsContact SG-OG1 3.41Å
133	V	96.2	Very high	95.6	Very high	71 Å²	71	54.1 Å²	54.1	43%	0.43	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-45	176.8	179.1	0	0	0	0	109.8	I124 D126 K131	I124-V133 HydrophobicContact CG2-CB 4.43Å; I124-V133 PolarHBondContact O-N 3.01Å; D126-V133 HydrophobicContact CB-CG2 3.44Å; D126-V133 VanDerWaalsContact CB-CG2 3.44Å; K131-V133 PolarHBondContact O-N 3.24Å
134	A	96.8	Very high	95.4	Very high	12 Å²	12	52.7 Å²	52.7	10%	0.099	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	145	-179.5	0	0	0	0	0	111.2	R123 I124 C132 H171	R123-A134 WeakPolarHBondContact CA-O 3.44Å; I124-A134 HydrophobicContact CB-CB 4.44Å; I124-A134 HydrophobicContact CD1-CB 4.29Å; I124-A134 PolarHBondContact N-O 3.05Å; I124-A134 PolarHBondContact O-N 3.16Å; C132-A134 PolarHBondContact SG-O 3.34Å; C132-A134 VanDerWaalsContact SG-O 3.37Å; A134-H171 HydrophobicContact CB-CB 3.87Å; A134-H171 VanDerWaalsContact CB-CG 3.45Å
135	T	97.6	Very high	95.3	Very high	65 Å²	65	52.7 Å²	52.7	40%	0.399	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.1	167.4	-56.1	0	0	0	0	107.3	T121 I122 R123 C132	T121-T135 HydrophobicContact CG2-CG2 4.05Å; I122-T135 WeakPolarHBondContact O-CA 3.38Å; R123-T135 HydrophobicContact CG-CG2 4.12Å; R123-T135 PolarHBondContact NH1-OG1 2.96Å; C132-T135 PolarHBondContact SG-OG1 3.15Å; C132-T135 VanDerWaalsContact SG-OG1 3.41Å
136	V	97.2	Very high	95.3	Very high	14 Å²	14	53.1 Å²	53.1	9%	0.085	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122	-179.7	-175.1	0	0	0	0	108.3	T121 I122 I166 H171	T121-V136 WeakPolarHBondContact CA-O 3.24Å; I122-V136 PolarHBondContact N-O 2.95Å; I122-V136 PolarHBondContact O-N 3.31Å; V136-I166 HydrophobicContact CB-CD1 4.35Å; V136-I166 HydrophobicContact CG1-CD1 3.76Å; V136-I166 HydrophobicContact CG1-CG1 4.2Å; V136-I166 HydrophobicContact CG1-CG2 4.45Å; V136-I166 HydrophobicContact CG2-CG2 4.34Å; V136-H171 HydrophobicContact CG2-CB 4.19Å
137	N	96.1	Very high	95.3	Very high	131 Å²	131	53 Å²	53	70%	0.701	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	133.8	175.6	-64.1	-23.1	0	0	0	109.6	T121	T121-N137 WeakPolarHBondContact CG2-OD1 3.28Å
138	T	94.9	Very high	95.4	Very high	17 Å²	17	52.9 Å²	52.9	10%	0.104	27%	0.268	C	S	.	.			trans	-113.3	173.2	174	59.9	0	0	0	0	109.8	K120 I122 G140 N142 V156 I166	K120-T138 PolarHBondContact O-N 3.41Å; K120-T138 PolarHBondContact O-OG1 3.4Å; K120-T138 VanDerWaalsContact O-OG1 3.12Å; I122-T138 HydrophobicContact CD1-CG2 3.71Å; I122-T138 HydrophobicContact CG1-CG2 3.61Å; T138-G140 PolarHBondContact OG1-O 3.12Å; T138-N142 WeakPolarHBondContact CB-OD1 3.5Å; T138-N142 PolarHBondContact OG1-ND2 3.32Å; T138-N142 PolarHBondContact OG1-OD1 2.91Å; T138-V156 HydrophobicContact CG2-CG1 4.01Å; T138-I166 HydrophobicContact CG2-CD1 4.36Å
139	K	90.9	Very high	95.4	Very high	135 Å²	135	46 Å²	46	59%	0.587	25%	0.247	S	C	*	.	S	Bend	trans	-79	-24.7	-173.9	-72.7	-178.6	170.2	173.2	0	114.4	E176	K139-E176 VanDerWaalsContact CD-OE2 3.31Å; K139-E176 WeakPolarHBondContact CD-OE2 3.5Å; K139-E176 WeakPolarHBondContact CE-OE2 3.43Å; K139-E176 IonicContact NZ-OE2 3.04Å; K139-E176 PolarHBondContact NZ-OE2 2.55Å
140	G	91.8	Very high	95.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-143.6	179.6	-171.8	0	0	0	0	0	112.7	K120 T138 N142 N158	K120-G140 WeakPolarHBondContact CA-O 3.46Å; K120-G140 WeakPolarHBondContact CB-O 3.18Å; T138-G140 PolarHBondContact OG1-O 3.12Å; G140-N142 PolarHBondContact O-N 2.81Å; G140-N142 PolarHBondContact O-OD1 3.44Å; G140-N158 WeakPolarHBondContact CA-ND2 3.2Å; G140-N158 PolarHBondContact N-ND2 3.12Å
141	E	94.1	Very high	95.6	Very high	71 Å²	71	43.3 Å²	43.3	33%	0.332	23%	0.229	S	C	.	.			trans	-68.2	114.1	178.8	-61	-177.6	-170.4	0	0	109.3	N158 K159	E141-N158 CarbonylContact O-C 3.46Å; E141-N158 WeakPolarHBondContact O-CA 3.4Å; E141-N158 VanDerWaalsContact O-CB 3.25Å; E141-N158 WeakPolarHBondContact O-CB 3.4Å; E141-K159 HydrophobicContact CB-CD 4.09Å; E141-K159 HydrophobicContact CB-CG 4.22Å; E141-K159 PolarHBondContact O-N 2.87Å; E141-K159 WeakPolarHBondContact OE2-CD 3.34Å; E141-K159 WeakPolarHBondContact OE2-CE 3.28Å; E141-K159 IonicContact OE2-NZ 2.76Å; E141-K159 PolarHBondContact OE2-NZ 2.78Å
142	N	95.9	Very high	95.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	126.5	-173.6	-59.7	-47.8	0	0	0	109.8	A116 S117 T121 T138 G140 V156	A116-N142 HydrophobicContact CB-CB 3.71Å; S117-N142 PolarHBondContact O-N 3.38Å; T121-N142 PolarHBondContact N-ND2 3.24Å; T121-N142 PolarHBondContact O-ND2 2.87Å; T121-N142 VanDerWaalsContact O-ND2 3.1Å; T138-N142 WeakPolarHBondContact CB-OD1 3.5Å; T138-N142 PolarHBondContact OG1-ND2 3.32Å; T138-N142 PolarHBondContact OG1-OD1 2.91Å; G140-N142 PolarHBondContact O-N 2.81Å; G140-N142 PolarHBondContact O-OD1 3.44Å; N142-V156 HydrophobicContact CB-CG2 3.68Å; N142-V156 VanDerWaalsContact OD1-CG2 3.31Å; N142-V156 WeakPolarHBondContact OD1-CG2 3.41Å
143	I	93.8	Very high	95.7	Very high	40 Å²	40	38.3 Å²	38.3	21%	0.205	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-40.4	-178.7	51.1	168.3	0	0	0	111.9	Q102 G157 K159	Q102-I143 WeakPolarHBondContact CB-O 3.41Å; I143-G157 VanDerWaalsContact CG1-O 3.3Å; I143-G157 WeakPolarHBondContact CG1-O 3.41Å; I143-G157 PolarHBondContact N-O 3.13Å; I143-K159 HydrophobicContact CG2-CD 4.32Å; I143-K159 HydrophobicContact CG2-CG 3.44Å; I143-K159 VanDerWaalsContact CG2-CG 3.44Å
144	N	93.1	Very high	95.8	Very high	15 Å²	15	35 Å²	35	8%	0.08	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.8	-169	-45.2	-14.1	0	0	0	109.3	V156 G157 N184 E185 I186	N144-V156 CarbonylContact O-C 3.57Å; N144-V156 VanDerWaalsContact O-CA 3.3Å; N144-V156 WeakPolarHBondContact O-CA 3.15Å; N144-V156 WeakPolarHBondContact O-CG2 3.48Å; N144-G157 PolarHBondContact N-O 2.87Å; N144-G157 PolarHBondContact O-N 3.13Å; N144-N184 PolarHBondContact ND2-O 2.89Å; N144-E185 WeakPolarHBondContact ND2-CA 3.47Å; N144-I186 HydrophobicContact CB-CG1 4.2Å
145	I	97	Very high	95.9	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.031	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.8	174.1	49.9	167.8	0	0	0	111.4	Q102 V114 A116 I122 A155 V156	Q102-I145 HydrophobicContact CB-CG1 3.85Å; Q102-I145 HydrophobicContact CG-CG1 3.65Å; Q102-I145 WeakPolarHBondContact O-CD1 3.11Å; V114-I145 HydrophobicContact CB-CD1 4.18Å; V114-I145 HydrophobicContact CG1-CD1 3.93Å; V114-I145 VanDerWaalsContact O-CD1 3.26Å; V114-I145 WeakPolarHBondContact O-CD1 3.49Å; A116-I145 HydrophobicContact CB-CB 4.28Å; A116-I145 HydrophobicContact CB-CD1 3.98Å; A116-I145 HydrophobicContact CB-CG1 3.98Å; A116-I145 HydrophobicContact CB-CG2 3.37Å; I122-I145 HydrophobicContact CG2-CG2 4.29Å; I145-A155 WeakPolarHBondContact CA-O 3.46Å; I145-V156 HydrophobicContact CG2-CB 3.76Å; I145-V156 HydrophobicContact CG2-CG2 3.59Å
146	C	97.2	Very high	95.9	Very high	18 Å²	18	31.4 Å²	31.4	12%	0.122	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153.4	170.2	61.6	0	0	0	0	111.5	A155 I186	C146-A155 PolarHBondContact N-O 3.47Å; C146-A155 PolarHBondContact O-N 2.85Å; C146-I186 PolarHBondContact SG-O 2.6Å; C146-I186 VanDerWaalsContact SG-O 3.4Å
147	W	97.8	Very high	95.8	Very high	25 Å²	25	30.8 Å²	30.8	10%	0.095	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	144.9	171.3	-80.4	96.8	0	0	0	110.6	W105 H106 P107 V114 G151 I154 A168	W105-W147 VanDerWaalsContact O-CD1 3.29Å; H106-W147 HydrophobicContact CB-CZ2 4.38Å; H106-W147 AromaticContact CD2-CH2 3.48Å; H106-W147 VanDerWaalsContact CD2-CH2 3.48Å; H106-W147 WeakPolarHBondContact CD2-CH2 3.32Å; H106-W147 AromaticContact CD2-CZ2 3.68Å; H106-W147 AromaticContact CD2-CZ3 3.7Å; P107-W147 HydrophobicContact CG-CB 4.21Å; V114-W147 HydrophobicContact CG2-CH2 4.49Å; V114-W147 HydrophobicContact CG2-CZ2 3.36Å; W147-G151 WeakPolarHBondContact CZ3-O 2.99Å; W147-I154 HydrophobicContact CD2-CG1 3.84Å; W147-I154 HydrophobicContact CE3-CG1 3.74Å; W147-I154 HydrophobicContact CH2-CD1 3.73Å; W147-I154 HydrophobicContact CH2-CG1 3.7Å; W147-I154 HydrophobicContact CZ2-CD1 3.75Å; W147-I154 HydrophobicContact CZ2-CG1 3.77Å; W147-I154 HydrophobicContact CZ3-CD1 4.2Å; W147-I154 HydrophobicContact CZ3-CG1 3.67Å; W147-A168 HydrophobicContact CH2-CB 3.32Å; W147-A168 HydrophobicContact CZ3-CB 3.24Å
148	S	97.3	Very high	95.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.			trans	-61.4	145.5	157.2	59.7	0	0	0	0	109.5	D150 G151 Q152 T153 N192	S148-D150 WeakPolarHBondContact CB-OD1 3.46Å; S148-D150 PolarHBondContact O-N 3.21Å; S148-D150 VanDerWaalsContact O-N 3.11Å; S148-D150 PolarHBondContact OG-OD1 3.22Å; S148-G151 PolarHBondContact O-N 3.32Å; S148-Q152 PolarHBondContact OG-N 3.16Å; S148-T153 PolarHBondContact N-O 3.45Å; S148-T153 PolarHBondContact OG-N 2.77Å; S148-T153 PolarHBondContact OG-O 3.31Å; S148-T153 VanDerWaalsContact OG-O 3.1Å; S148-N192 VanDerWaalsContact CB-OD1 3.31Å; S148-N192 WeakPolarHBondContact CB-OD1 3.38Å
149	P	95.9	Very high	95.7	Very high	38 Å²	38	29.5 Å²	29.5	25%	0.247	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.1	-177.1	-23.2	28.2	0	0	0	114.1	P107 G151 W188 N189 N192	P107-P149 WeakPolarHBondContact CG-O 3.49Å; P149-G151 PolarHBondContact O-N 2.82Å; P149-W188 HydrophobicContact CG-CB 4.22Å; P149-N189 WeakPolarHBondContact CG-O 3.48Å; P149-N192 HydrophobicContact CG-CB 4.22Å
150	D	96.3	Very high	95.7	Very high	60 Å²	60	27.5 Å²	27.5	32%	0.321	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-7	177.2	74.5	-11.8	0	0	0	114.2	S148 Q152 N192	S148-D150 WeakPolarHBondContact CB-OD1 3.46Å; S148-D150 PolarHBondContact O-N 3.21Å; S148-D150 VanDerWaalsContact O-N 3.11Å; S148-D150 PolarHBondContact OG-OD1 3.22Å; D150-Q152 VanDerWaalsContact C-N 3.28Å; D150-Q152 HydrophobicContact CB-CG 4.44Å; D150-Q152 PolarHBondContact O-N 2.76Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.42Å; D150-Q152 PolarHBondContact OD1-N 3.28Å; D150-Q152 WeakPolarHBondContact OD2-CG 3.07Å; D150-Q152 PolarHBondContact OD2-NE2 3.41Å; D150-N192 PolarHBondContact OD2-ND2 2.86Å; D150-N192 VanDerWaalsContact OD2-ND2 3.09Å
151	G	96.3	Very high	95.8	Very high	7 Å²	7	29.3 Å²	29.3	7%	0.072	15%	0.149	C	C	.	.	S	Bend	trans	69.1	19.5	-179.1	0	0	0	0	0	114.5	H106 W147 S148 P149	H106-G151 PolarHBondContact NE2-O 3.28Å; H106-G151 VanDerWaalsContact NE2-O 3.16Å; W147-G151 WeakPolarHBondContact CZ3-O 2.99Å; S148-G151 PolarHBondContact O-N 3.32Å; P149-G151 PolarHBondContact O-N 2.82Å
152	Q	96.5	Very high	95.8	Very high	78 Å²	78	26.6 Å²	26.6	36%	0.364	14%	0.137	S	C	.	.	S	Bend	trans	-96.6	-25.6	-179.2	-64.1	-168.4	70.1	0	0	113.7	S148 D150 A168	S148-Q152 PolarHBondContact OG-N 3.16Å; D150-Q152 VanDerWaalsContact C-N 3.28Å; D150-Q152 HydrophobicContact CB-CG 4.44Å; D150-Q152 PolarHBondContact O-N 2.76Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.42Å; D150-Q152 PolarHBondContact OD1-N 3.28Å; D150-Q152 WeakPolarHBondContact OD2-CG 3.07Å; D150-Q152 PolarHBondContact OD2-NE2 3.41Å; Q152-A168 WeakPolarHBondContact O-CB 3.04Å; Q152-A168 PolarHBondContact O-N 2.76Å
153	T	97.4	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.9	-172.2	-46.1	0	0	0	0	110.3	S148 F165 I166 Y209	S148-T153 PolarHBondContact N-O 3.45Å; S148-T153 PolarHBondContact OG-N 2.77Å; S148-T153 PolarHBondContact OG-O 3.31Å; S148-T153 VanDerWaalsContact OG-O 3.1Å; T153-F165 HydrophobicContact CG2-CB 4.1Å; T153-F165 HydrophobicContact CG2-CD1 4.31Å; T153-I166 CarbonylContact C-O 3.56Å; T153-I166 WeakPolarHBondContact CA-O 3.46Å; T153-Y209 PolarHBondContact OG1-OH 3.14Å
154	I	98.1	Very high	96	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.1	172	-59.9	159.2	0	0	0	106.8	V114 I124 W147 F165 I166 A168	V114-I154 HydrophobicContact CG1-CD1 4.28Å; V114-I154 HydrophobicContact CG1-CG2 4.43Å; V114-I154 HydrophobicContact CG2-CD1 3.8Å; V114-I154 HydrophobicContact CG2-CG1 4.44Å; I124-I154 HydrophobicContact CD1-CD1 3.85Å; I124-I154 HydrophobicContact CG1-CD1 4.2Å; W147-I154 HydrophobicContact CD2-CG1 3.84Å; W147-I154 HydrophobicContact CE3-CG1 3.74Å; W147-I154 HydrophobicContact CH2-CD1 3.73Å; W147-I154 HydrophobicContact CH2-CG1 3.7Å; W147-I154 HydrophobicContact CZ2-CD1 3.75Å; W147-I154 HydrophobicContact CZ2-CG1 3.77Å; W147-I154 HydrophobicContact CZ3-CD1 4.2Å; W147-I154 HydrophobicContact CZ3-CG1 3.67Å; I154-F165 CarbonylContact O-C 3.57Å; I154-F165 WeakPolarHBondContact O-CA 3.27Å; I154-I166 HydrophobicContact CB-CB 4.48Å; I154-I166 PolarHBondContact N-O 3.14Å; I154-I166 PolarHBondContact O-N 3.1Å; I154-A168 HydrophobicContact CD1-CB 4.4Å
155	A	97.9	Very high	96.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.2	168.3	0	0	0	0	0	108.8	I145 C146 V163 T164 F165 I186 F195	I145-A155 WeakPolarHBondContact CA-O 3.46Å; C146-A155 PolarHBondContact N-O 3.47Å; C146-A155 PolarHBondContact O-N 2.85Å; A155-V163 HydrophobicContact CB-CG1 4.45Å; A155-T164 WeakPolarHBondContact CA-O 3.48Å; A155-F165 HydrophobicContact CB-CD1 3.91Å; A155-F165 HydrophobicContact CB-CE1 3.81Å; A155-I186 HydrophobicContact CB-CD1 3.84Å; A155-F195 HydrophobicContact CB-CE2 3.74Å; A155-F195 HydrophobicContact CB-CZ 3.97Å
156	V	97.8	Very high	96.2	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	128.6	175.4	60.7	0	0	0	0	109.9	I122 T138 N142 N144 I145 V163 T164 I166	I122-V156 HydrophobicContact CD1-CB 3.73Å; I122-V156 HydrophobicContact CD1-CG1 3.51Å; I122-V156 HydrophobicContact CD1-CG2 4.02Å; T138-V156 HydrophobicContact CG2-CG1 4.01Å; N142-V156 HydrophobicContact CB-CG2 3.68Å; N142-V156 VanDerWaalsContact OD1-CG2 3.31Å; N142-V156 WeakPolarHBondContact OD1-CG2 3.41Å; N144-V156 CarbonylContact O-C 3.57Å; N144-V156 VanDerWaalsContact O-CA 3.3Å; N144-V156 WeakPolarHBondContact O-CA 3.15Å; N144-V156 WeakPolarHBondContact O-CG2 3.48Å; I145-V156 HydrophobicContact CG2-CB 3.76Å; I145-V156 HydrophobicContact CG2-CG2 3.59Å; V156-V163 CarbonylContact O-C 3.55Å; V156-V163 VanDerWaalsContact O-CA 3.24Å; V156-V163 WeakPolarHBondContact O-CA 3.22Å; V156-T164 HydrophobicContact CG1-CG2 4.45Å; V156-T164 WeakPolarHBondContact CG1-O 3.14Å; V156-T164 PolarHBondContact N-O 2.96Å; V156-T164 PolarHBondContact O-N 2.78Å; V156-I166 HydrophobicContact CG1-CD1 4.28Å
157	G	96.6	Very high	96.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	143.5	169.7	0	0	0	0	0	110.3	I143 N144	I143-G157 VanDerWaalsContact CG1-O 3.3Å; I143-G157 WeakPolarHBondContact CG1-O 3.41Å; I143-G157 PolarHBondContact N-O 3.13Å; N144-G157 PolarHBondContact N-O 2.87Å; N144-G157 PolarHBondContact O-N 3.13Å
158	N	94.8	Very high	96	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	170.8	175.5	76.1	6.5	0	0	0	112	G140 E141 D160 D161 V162	G140-N158 WeakPolarHBondContact CA-ND2 3.2Å; G140-N158 PolarHBondContact N-ND2 3.12Å; E141-N158 CarbonylContact O-C 3.46Å; E141-N158 WeakPolarHBondContact O-CA 3.4Å; E141-N158 VanDerWaalsContact O-CB 3.25Å; E141-N158 WeakPolarHBondContact O-CB 3.4Å; N158-D160 PolarHBondContact O-N 2.85Å; N158-D160 VanDerWaalsContact OD1-C 3.29Å; N158-D160 WeakPolarHBondContact OD1-CA 3.4Å; N158-D160 PolarHBondContact OD1-N 2.99Å; N158-D161 PolarHBondContact O-N 3.39Å; N158-D161 PolarHBondContact OD1-N 3.04Å; N158-V162 PolarHBondContact N-O 2.9Å; N158-V162 PolarHBondContact OD1-N 2.88Å; N158-V162 PolarHBondContact OD1-O 3.2Å
159	K	92.4	Very high	95.8	Very high	118 Å²	118	30.8 Å²	30.8	51%	0.513	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-12.5	177.1	-65.5	-172.4	-175.8	163.1	0	115	E141 I143 D161	E141-K159 HydrophobicContact CB-CD 4.09Å; E141-K159 HydrophobicContact CB-CG 4.22Å; E141-K159 PolarHBondContact O-N 2.87Å; E141-K159 WeakPolarHBondContact OE2-CD 3.34Å; E141-K159 WeakPolarHBondContact OE2-CE 3.28Å; E141-K159 IonicContact OE2-NZ 2.76Å; E141-K159 PolarHBondContact OE2-NZ 2.78Å; I143-K159 HydrophobicContact CG2-CD 4.32Å; I143-K159 HydrophobicContact CG2-CG 3.44Å; I143-K159 VanDerWaalsContact CG2-CG 3.44Å; K159-D161 VanDerWaalsContact C-N 3.34Å
160	D	92.8	Very high	95.8	Very high	93 Å²	93	32.6 Å²	32.6	50%	0.497	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	17.2	-179.9	-56.8	-55	0	0	0	111.5	N158 V162 Q178	N158-D160 PolarHBondContact O-N 2.85Å; N158-D160 VanDerWaalsContact OD1-C 3.29Å; N158-D160 WeakPolarHBondContact OD1-CA 3.4Å; N158-D160 PolarHBondContact OD1-N 2.99Å; D160-V162 PolarHBondContact O-N 3.19Å; D160-Q178 PolarHBondContact O-NE2 2.86Å
161	D	92.9	Very high	95.7	Very high	38 Å²	38	32.9 Å²	32.9	20%	0.203	17%	0.165	C	C	.	.	S	Bend	trans	59.5	23.2	-179.6	-56.7	-37.2	0	0	0	115	N158 K159 Q178 F179 E182 V183	N158-D161 PolarHBondContact O-N 3.39Å; N158-D161 PolarHBondContact OD1-N 3.04Å; K159-D161 VanDerWaalsContact C-N 3.34Å; D161-Q178 PolarHBondContact O-NE2 3.22Å; D161-F179 HydrophobicContact CB-CB 4.43Å; D161-F179 WeakPolarHBondContact CB-O 3.1Å; D161-F179 PolarHBondContact O-N 3.1Å; D161-E182 WeakPolarHBondContact OD1-CA 3.45Å; D161-V183 PolarHBondContact OD1-N 2.94Å
162	V	94.9	Very high	95.6	Very high	13 Å²	13	41.3 Å²	41.3	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.4	171.8	-175.9	0	0	0	0	109.4	N158 D160 E176 E177	N158-V162 PolarHBondContact N-O 2.9Å; N158-V162 PolarHBondContact OD1-N 2.88Å; N158-V162 PolarHBondContact OD1-O 3.2Å; D160-V162 PolarHBondContact O-N 3.19Å; V162-E176 HydrophobicContact CG1-CB 4.36Å; V162-E177 CarbonylContact C-O 3.53Å; V162-E177 WeakPolarHBondContact CA-O 3.31Å
163	V	96.8	Very high	95.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.8	167.1	-177.6	0	0	0	0	109	A155 V156 F165 E176 E177 F179 V183 I186 F195	A155-V163 HydrophobicContact CB-CG1 4.45Å; V156-V163 CarbonylContact O-C 3.55Å; V156-V163 VanDerWaalsContact O-CA 3.24Å; V156-V163 WeakPolarHBondContact O-CA 3.22Å; V163-F165 HydrophobicContact CB-CE2 4.43Å; V163-F165 HydrophobicContact CG1-CD2 4.43Å; V163-F165 HydrophobicContact CG1-CE1 4.43Å; V163-F165 HydrophobicContact CG1-CE2 3.78Å; V163-F165 HydrophobicContact CG1-CZ 3.79Å; V163-E176 WeakPolarHBondContact O-CA 3.33Å; V163-E177 PolarHBondContact N-O 3.39Å; V163-E177 PolarHBondContact O-N 3.11Å; V163-F179 HydrophobicContact CB-CE2 3.95Å; V163-F179 HydrophobicContact CG2-CD2 3.89Å; V163-F179 HydrophobicContact CG2-CE2 3.6Å; V163-V183 HydrophobicContact CG2-CG1 4.43Å; V163-I186 HydrophobicContact CG1-CD1 4.39Å; V163-I186 HydrophobicContact CG2-CG2 4.24Å; V163-F195 HydrophobicContact CG1-CE1 4.14Å; V163-F195 HydrophobicContact CG1-CZ 3.94Å
164	T	96.9	Very high	95.1	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130.9	176.6	-51.9	0	0	0	0	110	A155 V156 I166 S173 E176	A155-T164 WeakPolarHBondContact CA-O 3.48Å; V156-T164 HydrophobicContact CG1-CG2 4.45Å; V156-T164 WeakPolarHBondContact CG1-O 3.14Å; V156-T164 PolarHBondContact N-O 2.96Å; V156-T164 PolarHBondContact O-N 2.78Å; T164-I166 HydrophobicContact CG2-CD1 4.23Å; T164-I166 HydrophobicContact CG2-CG1 4.06Å; T164-S173 WeakPolarHBondContact CG2-OG 3.34Å; T164-E176 HydrophobicContact CG2-CG 3.75Å
165	F	97.1	Very high	94.8	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	120.8	175.7	-63.6	-89.4	0	0	0	109.6	T153 I154 A155 V163 R174 A175 W188 F195 Y209 L212	T153-F165 HydrophobicContact CG2-CB 4.1Å; T153-F165 HydrophobicContact CG2-CD1 4.31Å; I154-F165 CarbonylContact O-C 3.57Å; I154-F165 WeakPolarHBondContact O-CA 3.27Å; A155-F165 HydrophobicContact CB-CD1 3.91Å; A155-F165 HydrophobicContact CB-CE1 3.81Å; V163-F165 HydrophobicContact CB-CE2 4.43Å; V163-F165 HydrophobicContact CG1-CD2 4.43Å; V163-F165 HydrophobicContact CG1-CE1 4.43Å; V163-F165 HydrophobicContact CG1-CE2 3.78Å; V163-F165 HydrophobicContact CG1-CZ 3.79Å; F165-R174 PolarHBondContact O-N 2.67Å; F165-A175 HydrophobicContact CB-CB 4.34Å; F165-A175 HydrophobicContact CD2-CB 4.12Å; F165-A175 PolarHBondContact N-O 2.95Å; F165-A175 PolarHBondContact O-N 2.81Å; F165-W188 HydrophobicContact CD1-CZ2 4.06Å; F165-W188 AromaticContact CE1-CZ2 3.9Å; F165-W188 HydrophobicContact CE1-CZ2 3.9Å; F165-F195 HydrophobicContact CE1-CD2 4.07Å; F165-F195 HydrophobicContact CE1-CE1 4.35Å; F165-F195 AromaticContact CE1-CE2 3.87Å; F165-F195 HydrophobicContact CE1-CE2 3.87Å; F165-F195 HydrophobicContact CE1-CG 4.38Å; F165-F195 AromaticContact CE1-CZ 4Å; F165-F195 HydrophobicContact CE1-CZ 4Å; F165-F195 HydrophobicContact CZ-CD1 4.05Å; F165-F195 HydrophobicContact CZ-CD2 4.39Å; F165-F195 AromaticContact CZ-CE1 3.85Å; F165-F195 HydrophobicContact CZ-CE1 3.85Å; F165-F195 HydrophobicContact CZ-CE2 4.2Å; F165-F195 HydrophobicContact CZ-CG 4.3Å; F165-F195 AromaticContact CZ-CZ 3.9Å; F165-F195 HydrophobicContact CZ-CZ 3.9Å; F165-Y209 HydrophobicContact CD1-CE2 4.4Å; F165-L212 HydrophobicContact CD2-CD1 3.79Å; F165-L212 HydrophobicContact CE1-CD2 4.28Å; F165-L212 HydrophobicContact CE2-CD1 3.42Å; F165-L212 VanDerWaalsContact CE2-CD1 3.42Å; F165-L212 HydrophobicContact CE2-CD2 3.83Å; F165-L212 HydrophobicContact CE2-CG 4.3Å; F165-L212 HydrophobicContact CZ-CD1 4.07Å; F165-L212 HydrophobicContact CZ-CD2 3.57Å
166	I	97.4	Very high	94.6	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.3	-175.3	-69.6	155	0	0	0	109.9	I122 V136 T138 T153 I154 V156 T164 A168 R172	I122-I166 HydrophobicContact CD1-CD1 3.12Å; I122-I166 HydrophobicContact CG1-CD1 4.23Å; V136-I166 HydrophobicContact CB-CD1 4.35Å; V136-I166 HydrophobicContact CG1-CD1 3.76Å; V136-I166 HydrophobicContact CG1-CG1 4.2Å; V136-I166 HydrophobicContact CG1-CG2 4.45Å; V136-I166 HydrophobicContact CG2-CG2 4.34Å; T138-I166 HydrophobicContact CG2-CD1 4.36Å; T153-I166 CarbonylContact C-O 3.56Å; T153-I166 WeakPolarHBondContact CA-O 3.46Å; I154-I166 HydrophobicContact CB-CB 4.48Å; I154-I166 PolarHBondContact N-O 3.14Å; I154-I166 PolarHBondContact O-N 3.1Å; V156-I166 HydrophobicContact CG1-CD1 4.28Å; T164-I166 HydrophobicContact CG2-CD1 4.23Å; T164-I166 HydrophobicContact CG2-CG1 4.06Å; I166-A168 PolarHBondContact O-N 2.85Å; I166-R172 WeakPolarHBondContact CA-O 3.47Å
167	D	96.3	Very high	94.4	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.064	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	121.6	170.2	-174.4	-58.5	0	0	0	110.4	K169 T170 H171 R172 R174	D167-K169 VanDerWaalsContact C-N 3.32Å; D167-K169 PolarHBondContact O-N 3.05Å; D167-K169 WeakPolarHBondContact OD1-CA 3.5Å; D167-K169 WeakPolarHBondContact OD1-CB 2.93Å; D167-K169 PolarHBondContact OD1-N 3.09Å; D167-T170 WeakPolarHBondContact CB-OG1 3.17Å; D167-T170 PolarHBondContact OD1-N 3.03Å; D167-T170 PolarHBondContact OD1-OG1 2.87Å; D167-H171 WeakPolarHBondContact O-CA 3.08Å; D167-H171 PolarHBondContact O-N 3.35Å; D167-R172 PolarHBondContact N-O 2.69Å; D167-R174 HydrophobicContact CB-CG 3.92Å; D167-R174 IonicContact OD2-CZ 3.18Å; D167-R174 IonicContact OD2-NE 3.52Å; D167-R174 PolarHBondContact OD2-NE 2.81Å; D167-R174 IonicContact OD2-NH2 2.7Å; D167-R174 PolarHBondContact OD2-NH2 3.09Å
168	A	93.9	Very high	94.3	Very high	15 Å²	15	60.7 Å²	60.7	12%	0.124	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-21.4	-177.4	0	0	0	0	0	114.9	W147 Q152 I154 I166 H171	W147-A168 HydrophobicContact CH2-CB 3.32Å; W147-A168 HydrophobicContact CZ3-CB 3.24Å; Q152-A168 WeakPolarHBondContact O-CB 3.04Å; Q152-A168 PolarHBondContact O-N 2.76Å; I154-A168 HydrophobicContact CD1-CB 4.4Å; I166-A168 PolarHBondContact O-N 2.85Å; A168-H171 PolarHBondContact O-CE1 3.28Å; A168-H171 PolarHBondContact O-ND1 2.73Å
169	K	93.2	Very high	94.1	Very high	156 Å²	156	61.8 Å²	61.8	68%	0.678	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-40.5	179.6	-66.6	179.4	-179.5	169.3	0	111.8	D167	D167-K169 VanDerWaalsContact C-N 3.32Å; D167-K169 PolarHBondContact O-N 3.05Å; D167-K169 WeakPolarHBondContact OD1-CA 3.5Å; D167-K169 WeakPolarHBondContact OD1-CB 2.93Å; D167-K169 PolarHBondContact OD1-N 3.09Å
170	T	95.3	Very high	94	Very high	77 Å²	77	66 Å²	66	47%	0.472	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-14.7	-178.6	69.1	0	0	0	0	112.8	D167 R172	D167-T170 WeakPolarHBondContact CB-OG1 3.17Å; D167-T170 PolarHBondContact OD1-N 3.03Å; D167-T170 PolarHBondContact OD1-OG1 2.87Å; T170-R172 VanDerWaalsContact C-N 3.27Å; T170-R172 PolarHBondContact O-N 3.29Å
171	H	94.7	Very high	93.8	Very high	65 Å²	65	64.3 Å²	64.3	30%	0.301	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	37.5	-178.4	-48.5	-53.3	0	0	0	112.8	I124 A134 V136 D167 A168	I124-H171 WeakPolarHBondContact CD1-ND1 3.37Å; A134-H171 HydrophobicContact CB-CB 3.87Å; A134-H171 VanDerWaalsContact CB-CG 3.45Å; V136-H171 HydrophobicContact CG2-CB 4.19Å; D167-H171 WeakPolarHBondContact O-CA 3.08Å; D167-H171 PolarHBondContact O-N 3.35Å; A168-H171 PolarHBondContact O-CE1 3.28Å; A168-H171 PolarHBondContact O-ND1 2.73Å
172	R	92.9	Very high	93.8	Very high	184 Å²	184	67.2 Å²	67.2	69%	0.694	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.8	-179	-68.7	-177.1	-177.6	-162.1	-0.6	111.3	I166 D167 T170 R174	I166-R172 WeakPolarHBondContact CA-O 3.47Å; D167-R172 PolarHBondContact N-O 2.69Å; T170-R172 VanDerWaalsContact C-N 3.27Å; T170-R172 PolarHBondContact O-N 3.29Å; R172-R174 PolarHBondContact O-N 2.76Å
173	S	93.1	Very high	93.7	Very high	55 Å²	55	66.7 Å²	66.7	39%	0.385	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	125.4	167.6	-178.5	0	0	0	0	109.4	T164 E176	T164-S173 WeakPolarHBondContact CG2-OG 3.34Å; S173-E176 PolarHBondContact OG-OE1 2.77Å
174	R	91.2	Very high	93.6	Very high	139 Å²	139	68.3 Å²	68.3	53%	0.525	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-42.8	176.5	-75.7	-176.6	167.7	-168.5	1.7	111.3	F165 D167 R172	F165-R174 PolarHBondContact O-N 2.67Å; D167-R174 HydrophobicContact CB-CG 3.92Å; D167-R174 IonicContact OD2-CZ 3.18Å; D167-R174 IonicContact OD2-NE 3.52Å; D167-R174 PolarHBondContact OD2-NE 2.81Å; D167-R174 IonicContact OD2-NH2 2.7Å; D167-R174 PolarHBondContact OD2-NH2 3.09Å; R172-R174 PolarHBondContact O-N 2.76Å
175	A	91.9	Very high	93.5	Very high	31 Å²	31	69.7 Å²	69.7	26%	0.256	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	151	-176.7	0	0	0	0	0	110.3	F165 L212	F165-A175 HydrophobicContact CB-CB 4.34Å; F165-A175 HydrophobicContact CD2-CB 4.12Å; F165-A175 PolarHBondContact N-O 2.95Å; F165-A175 PolarHBondContact O-N 2.81Å; A175-L212 HydrophobicContact CB-CD1 4.2Å
176	E	93.7	Very high	93.5	Very high	72 Å²	72	69.6 Å²	69.6	34%	0.336	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	120.3	176.4	-70.3	176	-167.3	0	0	108.1	K139 V162 V163 T164 S173	K139-E176 VanDerWaalsContact CD-OE2 3.31Å; K139-E176 WeakPolarHBondContact CD-OE2 3.5Å; K139-E176 WeakPolarHBondContact CE-OE2 3.43Å; K139-E176 IonicContact NZ-OE2 3.04Å; K139-E176 PolarHBondContact NZ-OE2 2.55Å; V162-E176 HydrophobicContact CG1-CB 4.36Å; V163-E176 WeakPolarHBondContact O-CA 3.33Å; T164-E176 HydrophobicContact CG2-CG 3.75Å; S173-E176 PolarHBondContact OG-OE1 2.77Å
177	E	94.5	Very high	93.5	Very high	78 Å²	78	70.2 Å²	70.2	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.9	179.8	-68.5	-58.7	149.5	0	0	109.7	V162 V163 F179 L212	V162-E177 CarbonylContact C-O 3.53Å; V162-E177 WeakPolarHBondContact CA-O 3.31Å; V163-E177 PolarHBondContact N-O 3.39Å; V163-E177 PolarHBondContact O-N 3.11Å; E177-F179 HydrophobicContact CB-CE2 3.89Å; E177-F179 HydrophobicContact CB-CZ 4.11Å; E177-L212 HydrophobicContact CG-CB 4.29Å; E177-L212 HydrophobicContact CG-CD1 3.54Å; E177-L212 HydrophobicContact CG-CG 4.5Å
178	Q	93.9	Very high	93.6	Very high	115 Å²	115	70 Å²	70	54%	0.537	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.9	175.8	176.7	72.8	67.3	0	0	109.2	D160 D161	D160-Q178 PolarHBondContact O-NE2 2.86Å; D161-Q178 PolarHBondContact O-NE2 3.22Å
179	F	90.9	Very high	93.7	Very high	26 Å²	26	69.5 Å²	69.5	11%	0.114	32%	0.324	C	S	.	.			trans	-88.3	149.8	171.4	-63	-83.3	0	0	0	110	D161 V163 E177 F181 V183 L197 L207	D161-F179 HydrophobicContact CB-CB 4.43Å; D161-F179 WeakPolarHBondContact CB-O 3.1Å; D161-F179 PolarHBondContact O-N 3.1Å; V163-F179 HydrophobicContact CB-CE2 3.95Å; V163-F179 HydrophobicContact CG2-CD2 3.89Å; V163-F179 HydrophobicContact CG2-CE2 3.6Å; E177-F179 HydrophobicContact CB-CE2 3.89Å; E177-F179 HydrophobicContact CB-CZ 4.11Å; F179-F181 VanDerWaalsContact C-N 3.31Å; F179-F181 HydrophobicContact CB-CD2 4.36Å; F179-F181 HydrophobicContact CB-CE1 4.32Å; F179-F181 HydrophobicContact CB-CE2 4.05Å; F179-F181 HydrophobicContact CB-CZ 4.02Å; F179-F181 HydrophobicContact CD1-CE1 4.05Å; F179-F181 HydrophobicContact CD1-CE2 4.16Å; F179-F181 AromaticContact CD1-CZ 3.51Å; F179-F181 HydrophobicContact CD1-CZ 3.51Å; F179-F181 HydrophobicContact CE1-CZ 4.38Å; F179-F181 HydrophobicContact CG-CE2 4.3Å; F179-F181 HydrophobicContact CG-CZ 4.07Å; F179-V183 HydrophobicContact CB-CG2 3.81Å; F179-V183 HydrophobicContact CD2-CG2 3.94Å; F179-V183 HydrophobicContact CG-CG2 3.98Å; F179-L197 HydrophobicContact CD1-CD1 4.44Å; F179-L197 HydrophobicContact CD1-CD2 4.25Å; F179-L197 HydrophobicContact CE1-CD1 4.44Å; F179-L197 HydrophobicContact CE1-CD2 3.54Å; F179-L197 HydrophobicContact CE2-CD2 3.97Å; F179-L197 HydrophobicContact CZ-CD2 3.38Å; F179-L207 HydrophobicContact CE1-CD2 4Å; F179-L207 HydrophobicContact CZ-CD2 3.9Å
180	K	89.7	Confident	93.7	Very high	208 Å²	208	65.1 Å²	65.1	90%	0.904	31%	0.307	S	S	*	.	S	Bend	trans	-98.3	20.6	179.6	-64.3	-175.7	179.7	178.1	0	112.3
181	F	89.6	Confident	93.7	Very high	57 Å²	57	67.6 Å²	67.6	25%	0.25	32%	0.318	C	S	.	.	S	Bend	trans	-149	154.5	-179.1	53	-103.2	0	0	0	107.7	F179 V183 L197 N199 N205	F179-F181 VanDerWaalsContact C-N 3.31Å; F179-F181 HydrophobicContact CB-CD2 4.36Å; F179-F181 HydrophobicContact CB-CE1 4.32Å; F179-F181 HydrophobicContact CB-CE2 4.05Å; F179-F181 HydrophobicContact CB-CZ 4.02Å; F179-F181 HydrophobicContact CD1-CE1 4.05Å; F179-F181 HydrophobicContact CD1-CE2 4.16Å; F179-F181 AromaticContact CD1-CZ 3.51Å; F179-F181 HydrophobicContact CD1-CZ 3.51Å; F179-F181 HydrophobicContact CE1-CZ 4.38Å; F179-F181 HydrophobicContact CG-CE2 4.3Å; F179-F181 HydrophobicContact CG-CZ 4.07Å; F181-V183 HydrophobicContact CD2-CG2 4.35Å; F181-V183 HydrophobicContact CE2-CG2 4.09Å; F181-V183 PolarHBondContact O-N 3.36Å; F181-L197 HydrophobicContact CE2-CD1 3.36Å; F181-L197 HydrophobicContact CZ-CD1 3.56Å; F181-N199 HydrophobicContact CD2-CB 3.45Å; F181-N199 VanDerWaalsContact CD2-CB 3.45Å; F181-N199 HydrophobicContact CE2-CB 3.87Å; F181-N199 HydrophobicContact CG-CB 4.26Å; F181-N205 WeakPolarHBondContact CE2-ND2 3.34Å; F181-N205 WeakPolarHBondContact CZ-ND2 3.44Å
182	E	91	Very high	93.8	Very high	98 Å²	98	66 Å²	66	46%	0.458	31%	0.311	S	S	.	.			trans	-57.1	122.3	178.9	-176	178.7	-145.2	0	0	110.8	D161 N199 G200	D161-E182 WeakPolarHBondContact OD1-CA 3.45Å; E182-N199 WeakPolarHBondContact O-CA 3.46Å; E182-N199 VanDerWaalsContact O-CB 3.26Å; E182-N199 WeakPolarHBondContact O-CB 3.13Å; E182-G200 PolarHBondContact O-N 3.3Å; E182-G200 WeakPolarHBondContact OE2-CA 3.4Å
183	V	93.8	Very high	93.9	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	111.6	174.3	179.9	0	0	0	0	109.6	D161 V163 F179 F181 I186 L197	D161-V183 PolarHBondContact OD1-N 2.94Å; V163-V183 HydrophobicContact CG2-CG1 4.43Å; F179-V183 HydrophobicContact CB-CG2 3.81Å; F179-V183 HydrophobicContact CD2-CG2 3.94Å; F179-V183 HydrophobicContact CG-CG2 3.98Å; F181-V183 HydrophobicContact CD2-CG2 4.35Å; F181-V183 HydrophobicContact CE2-CG2 4.09Å; F181-V183 PolarHBondContact O-N 3.36Å; V183-I186 HydrophobicContact CG1-CG2 3.66Å; V183-L197 HydrophobicContact CG1-CB 4.33Å
184	N	94	Very high	94	Very high	34 Å²	34	60.7 Å²	60.7	18%	0.182	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-38	-173.5	-75.2	-45	0	0	0	114.1	N144 T198 G200 C225	N144-N184 PolarHBondContact ND2-O 2.89Å; N184-T198 WeakPolarHBondContact CB-OG1 3.35Å; N184-T198 PolarHBondContact N-O 3.18Å; N184-T198 VanDerWaalsContact N-O 3.09Å; N184-G200 PolarHBondContact ND2-N 2.78Å; N184-C225 VanDerWaalsContact CB-O 3.28Å; N184-C225 WeakPolarHBondContact CB-O 2.91Å; N184-C225 PolarHBondContact ND2-O 3Å
185	E	96.3	Very high	94.3	Very high	32 Å²	32	54.1 Å²	54.1	15%	0.15	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	149.2	177.7	-169.7	63.5	-96.6	0	0	109.7	N144 L197 T198 I226 I228	N144-E185 WeakPolarHBondContact ND2-CA 3.47Å; E185-L197 WeakPolarHBondContact O-CA 3.48Å; E185-T198 PolarHBondContact N-OG1 2.92Å; E185-T198 PolarHBondContact O-N 2.86Å; E185-T198 PolarHBondContact O-OG1 3.32Å; E185-I226 WeakPolarHBondContact CB-O 3.31Å; E185-I228 HydrophobicContact CB-CG2 4.08Å; E185-I228 HydrophobicContact CG-CG2 3.85Å
186	I	97.1	Very high	94.6	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.4	-178	52.7	169.6	0	0	0	111.1	N144 C146 A155 V163 V183 F195 F196 L197	N144-I186 HydrophobicContact CB-CG1 4.2Å; C146-I186 PolarHBondContact SG-O 2.6Å; C146-I186 VanDerWaalsContact SG-O 3.4Å; A155-I186 HydrophobicContact CB-CD1 3.84Å; V163-I186 HydrophobicContact CG1-CD1 4.39Å; V163-I186 HydrophobicContact CG2-CG2 4.24Å; V183-I186 HydrophobicContact CG1-CG2 3.66Å; I186-F195 HydrophobicContact CB-CE1 4.37Å; I186-F195 HydrophobicContact CB-CE2 4.25Å; I186-F195 HydrophobicContact CB-CZ 3.64Å; I186-F195 HydrophobicContact CD1-CZ 4.16Å; I186-F195 HydrophobicContact CG1-CZ 4.46Å; I186-F195 HydrophobicContact CG2-CE1 4.12Å; I186-F195 HydrophobicContact CG2-CZ 3.81Å; I186-F196 WeakPolarHBondContact CA-O 3.24Å; I186-L197 HydrophobicContact CG2-CB 4.03Å
187	S	97.4	Very high	94.7	Very high	15 Å²	15	49.2 Å²	49.2	11%	0.105	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	158	179	-147.3	0	0	0	0	112.4	F196	S187-F196 PolarHBondContact N-O 2.75Å; S187-F196 PolarHBondContact O-N 3.37Å
188	W	97.3	Very high	94.8	Very high	8 Å²	8	45.5 Å²	45.5	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	145.4	174.4	-71.3	83.3	0	0	0	109.3	P149 F165 N192 F195 Y209 F230	P149-W188 HydrophobicContact CG-CB 4.22Å; F165-W188 HydrophobicContact CD1-CZ2 4.06Å; F165-W188 AromaticContact CE1-CZ2 3.9Å; F165-W188 HydrophobicContact CE1-CZ2 3.9Å; W188-N192 WeakPolarHBondContact CZ3-OD1 3.48Å; W188-F195 AromaticContact CD1-CD2 3.89Å; W188-F195 AromaticContact CD1-CE2 3.87Å; W188-F195 AromaticContact CD2-CD2 3.78Å; W188-F195 HydrophobicContact CD2-CD2 3.78Å; W188-F195 HydrophobicContact CD2-CE2 4.43Å; W188-F195 AromaticContact CE2-CD2 3.56Å; W188-F195 AromaticContact CE2-CE2 3.89Å; W188-F195 HydrophobicContact CE3-CD2 4.45Å; W188-F195 HydrophobicContact CG-CD2 4.04Å; W188-F195 HydrophobicContact CG-CE2 4.46Å; W188-F195 HydrophobicContact CZ2-CD2 4.18Å; W188-F195 AromaticContact NE1-CD2 3.55Å; W188-F195 AromaticContact NE1-CE2 3.43Å; W188-Y209 HydrophobicContact CE3-CD1 4.45Å; W188-Y209 HydrophobicContact CE3-CG 4.24Å; W188-Y209 AromaticContact CH2-CD1 3.38Å; W188-Y209 HydrophobicContact CH2-CD1 3.38Å; W188-Y209 AromaticContact CH2-CD2 3.09Å; W188-Y209 HydrophobicContact CH2-CD2 3.09Å; W188-Y209 AromaticContact CH2-CE1 3.37Å; W188-Y209 HydrophobicContact CH2-CE1 3.37Å; W188-Y209 AromaticContact CH2-CE2 3.15Å; W188-Y209 HydrophobicContact CH2-CE2 3.15Å; W188-Y209 AromaticContact CH2-CG 3.22Å; W188-Y209 HydrophobicContact CH2-CG 3.22Å; W188-Y209 AromaticContact CH2-CZ 3.27Å; W188-Y209 AromaticContact CZ2-CD2 3.88Å; W188-Y209 HydrophobicContact CZ2-CD2 3.88Å; W188-Y209 AromaticContact CZ2-CE2 3.85Å; W188-Y209 HydrophobicContact CZ2-CE2 3.85Å; W188-Y209 HydrophobicContact CZ2-CG 4.34Å; W188-Y209 AromaticContact CZ3-CD1 3.18Å; W188-Y209 HydrophobicContact CZ3-CD1 3.18Å; W188-Y209 AromaticContact CZ3-CD2 3.52Å; W188-Y209 HydrophobicContact CZ3-CD2 3.52Å; W188-Y209 AromaticContact CZ3-CE1 3.61Å; W188-Y209 HydrophobicContact CZ3-CE1 3.61Å; W188-Y209 AromaticContact CZ3-CE2 3.99Å; W188-Y209 HydrophobicContact CZ3-CE2 3.99Å; W188-Y209 AromaticContact CZ3-CG 3.1Å; W188-Y209 HydrophobicContact CZ3-CG 3.1Å; W188-F230 VanDerWaalsContact O-CD2 3.28Å; W188-F230 WeakPolarHBondContact O-CD2 3.47Å
189	N	95.9	Very high	94.8	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	20%	0.197	C	C	.	.			trans	-71.3	163.2	161.9	78.5	-29.3	0	0	0	110.2	P149 D191 N192 D193 M194 F196 F230	P149-N189 WeakPolarHBondContact CG-O 3.48Å; N189-D191 VanDerWaalsContact C-N 3.29Å; N189-D191 PolarHBondContact O-N 3.4Å; N189-N192 PolarHBondContact O-N 2.99Å; N189-N192 PolarHBondContact OD1-N 2.7Å; N189-D193 PolarHBondContact ND2-OD1 3.02Å; N189-D193 PolarHBondContact OD1-N 2.86Å; N189-D193 PolarHBondContact OD1-OD1 3.47Å; N189-M194 HydrophobicContact CB-CB 4.31Å; N189-M194 PolarHBondContact N-O 2.89Å; N189-M194 VanDerWaalsContact N-O 3.13Å; N189-M194 PolarHBondContact OD1-N 2.71Å; N189-M194 PolarHBondContact OD1-O 2.87Å; N189-M194 VanDerWaalsContact OD1-O 3.09Å; N189-F196 HydrophobicContact CB-CE2 4.16Å; N189-F230 HydrophobicContact CB-CD1 4.47Å; N189-F230 HydrophobicContact CB-CE1 3.86Å; N189-F230 HydrophobicContact CB-CZ 4.11Å
190	N	94.5	Very high	94.8	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-24.5	-174.2	-68.7	-13.7	0	0	0	113.4	N192 D231 G234	N190-N192 PolarHBondContact O-N 2.76Å; N190-D231 PolarHBondContact ND2-O 2.92Å; N190-G234 WeakPolarHBondContact ND2-CA 3.43Å; N190-G234 PolarHBondContact ND2-N 2.84Å; N190-G234 VanDerWaalsContact ND2-N 3.12Å
191	D	95.1	Very high	94.9	Very high	129 Å²	129	35.5 Å²	35.5	69%	0.69	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.2	178.9	-61.7	-43.8	0	0	0	113.5	N189 D193	N189-D191 VanDerWaalsContact C-N 3.29Å; N189-D191 PolarHBondContact O-N 3.4Å; D191-D193 PolarHBondContact O-N 2.9Å
192	N	95.4	Very high	95.1	Very high	31 Å²	31	32.8 Å²	32.8	17%	0.166	17%	0.173	C	C	.	.	S	Bend	trans	62.7	26.7	176.5	-164.8	38.7	0	0	0	113.8	S148 P149 D150 W188 N189 N190 Y209	S148-N192 VanDerWaalsContact CB-OD1 3.31Å; S148-N192 WeakPolarHBondContact CB-OD1 3.38Å; P149-N192 HydrophobicContact CG-CB 4.22Å; D150-N192 PolarHBondContact OD2-ND2 2.86Å; D150-N192 VanDerWaalsContact OD2-ND2 3.09Å; W188-N192 WeakPolarHBondContact CZ3-OD1 3.48Å; N189-N192 PolarHBondContact O-N 2.99Å; N189-N192 PolarHBondContact OD1-N 2.7Å; N190-N192 PolarHBondContact O-N 2.76Å; N192-Y209 WeakPolarHBondContact O-CD1 3.35Å
193	D	95.5	Very high	95.3	Very high	74 Å²	74	28.8 Å²	28.8	40%	0.396	16%	0.156	S	C	.	.	S	Bend	trans	-118.3	-10.1	179.7	71.5	-21.8	0	0	0	113	N189 D191 S208 Y209	N189-D193 PolarHBondContact ND2-OD1 3.02Å; N189-D193 PolarHBondContact OD1-N 2.86Å; N189-D193 PolarHBondContact OD1-OD1 3.47Å; D191-D193 PolarHBondContact O-N 2.9Å; D193-S208 CarbonylContact O-C 3.54Å; D193-Y209 PolarHBondContact O-N 2.92Å
194	M	96	Very high	95.5	Very high	55 Å²	55	28.7 Å²	28.7	27%	0.271	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.9	175.3	-60.2	-171.8	-167.8	0	0	112.4	N189 F196 I206 L207 I215	N189-M194 HydrophobicContact CB-CB 4.31Å; N189-M194 PolarHBondContact N-O 2.89Å; N189-M194 VanDerWaalsContact N-O 3.13Å; N189-M194 PolarHBondContact OD1-N 2.71Å; N189-M194 PolarHBondContact OD1-O 2.87Å; N189-M194 VanDerWaalsContact OD1-O 3.09Å; M194-F196 HydrophobicContact CB-CD2 4.22Å; M194-F196 HydrophobicContact CB-CE2 3.64Å; M194-F196 HydrophobicContact SD-CE2 4.3Å; M194-I206 HydrophobicContact CB-CG2 4.28Å; M194-I206 HydrophobicContact CG-CG2 4.47Å; M194-I206 HydrophobicContact SD-CG2 3.94Å; M194-L207 CarbonylContact C-O 3.55Å; M194-L207 WeakPolarHBondContact CA-O 3.41Å; M194-I215 HydrophobicContact CG-CD1 4.27Å; M194-I215 HydrophobicContact SD-CD1 4.49Å
195	F	97.5	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125	177.7	-172.4	-105.1	0	0	0	110.1	A155 V163 F165 I186 W188 L197 L207	A155-F195 HydrophobicContact CB-CE2 3.74Å; A155-F195 HydrophobicContact CB-CZ 3.97Å; V163-F195 HydrophobicContact CG1-CE1 4.14Å; V163-F195 HydrophobicContact CG1-CZ 3.94Å; F165-F195 HydrophobicContact CE1-CD2 4.07Å; F165-F195 HydrophobicContact CE1-CE1 4.35Å; F165-F195 AromaticContact CE1-CE2 3.87Å; F165-F195 HydrophobicContact CE1-CE2 3.87Å; F165-F195 HydrophobicContact CE1-CG 4.38Å; F165-F195 AromaticContact CE1-CZ 4Å; F165-F195 HydrophobicContact CE1-CZ 4Å; F165-F195 HydrophobicContact CZ-CD1 4.05Å; F165-F195 HydrophobicContact CZ-CD2 4.39Å; F165-F195 AromaticContact CZ-CE1 3.85Å; F165-F195 HydrophobicContact CZ-CE1 3.85Å; F165-F195 HydrophobicContact CZ-CE2 4.2Å; F165-F195 HydrophobicContact CZ-CG 4.3Å; F165-F195 AromaticContact CZ-CZ 3.9Å; F165-F195 HydrophobicContact CZ-CZ 3.9Å; I186-F195 HydrophobicContact CB-CE1 4.37Å; I186-F195 HydrophobicContact CB-CE2 4.25Å; I186-F195 HydrophobicContact CB-CZ 3.64Å; I186-F195 HydrophobicContact CD1-CZ 4.16Å; I186-F195 HydrophobicContact CG1-CZ 4.46Å; I186-F195 HydrophobicContact CG2-CE1 4.12Å; I186-F195 HydrophobicContact CG2-CZ 3.81Å; W188-F195 AromaticContact CD1-CD2 3.89Å; W188-F195 AromaticContact CD1-CE2 3.87Å; W188-F195 AromaticContact CD2-CD2 3.78Å; W188-F195 HydrophobicContact CD2-CD2 3.78Å; W188-F195 HydrophobicContact CD2-CE2 4.43Å; W188-F195 AromaticContact CE2-CD2 3.56Å; W188-F195 AromaticContact CE2-CE2 3.89Å; W188-F195 HydrophobicContact CE3-CD2 4.45Å; W188-F195 HydrophobicContact CG-CD2 4.04Å; W188-F195 HydrophobicContact CG-CE2 4.46Å; W188-F195 HydrophobicContact CZ2-CD2 4.18Å; W188-F195 AromaticContact NE1-CD2 3.55Å; W188-F195 AromaticContact NE1-CE2 3.43Å; F195-L197 HydrophobicContact CD1-CD2 4.18Å; F195-L197 HydrophobicContact CE1-CD2 4.11Å; F195-L207 HydrophobicContact CB-CB 4.48Å; F195-L207 PolarHBondContact N-O 3.3Å; F195-L207 PolarHBondContact O-N 2.67Å
196	F	97.8	Very high	95.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.1	-174.3	-74.3	-121.1	0	0	0	109.4	I186 S187 N189 M194 I204 N205 I206 I228 F230 F237 L254	I186-F196 WeakPolarHBondContact CA-O 3.24Å; S187-F196 PolarHBondContact N-O 2.75Å; S187-F196 PolarHBondContact O-N 3.37Å; N189-F196 HydrophobicContact CB-CE2 4.16Å; M194-F196 HydrophobicContact CB-CD2 4.22Å; M194-F196 HydrophobicContact CB-CE2 3.64Å; M194-F196 HydrophobicContact SD-CE2 4.3Å; F196-I204 HydrophobicContact CD1-CG2 3.83Å; F196-N205 WeakPolarHBondContact CA-O 3.16Å; F196-I206 HydrophobicContact CD1-CD1 4.27Å; F196-I206 HydrophobicContact CD1-CG1 3.86Å; F196-I206 HydrophobicContact CD2-CG2 4.32Å; F196-I206 HydrophobicContact CE1-CD1 3.56Å; F196-I206 HydrophobicContact CE1-CG1 3.64Å; F196-I206 HydrophobicContact CE1-CG2 4.48Å; F196-I206 HydrophobicContact CE2-CG1 4.45Å; F196-I206 HydrophobicContact CE2-CG2 3.85Å; F196-I206 HydrophobicContact CG-CG1 4.36Å; F196-I206 HydrophobicContact CZ-CD1 3.8Å; F196-I206 HydrophobicContact CZ-CG1 3.95Å; F196-I206 HydrophobicContact CZ-CG2 3.93Å; F196-I228 HydrophobicContact CB-CD1 4Å; F196-I228 HydrophobicContact CD1-CD1 4.01Å; F196-I228 HydrophobicContact CG-CD1 4.42Å; F196-F230 HydrophobicContact CB-CE2 4.18Å; F196-F230 HydrophobicContact CB-CZ 4.46Å; F196-F230 HydrophobicContact CD1-CE2 4.21Å; F196-F230 AromaticContact CD1-CZ 3.77Å; F196-F230 HydrophobicContact CD1-CZ 3.77Å; F196-F230 HydrophobicContact CD2-CE2 4.08Å; F196-F230 AromaticContact CD2-CZ 3.62Å; F196-F230 HydrophobicContact CD2-CZ 3.62Å; F196-F230 AromaticContact CE1-CZ 3.8Å; F196-F230 HydrophobicContact CE1-CZ 3.8Å; F196-F230 HydrophobicContact CE2-CE1 4.43Å; F196-F230 AromaticContact CE2-CZ 3.67Å; F196-F230 HydrophobicContact CE2-CZ 3.67Å; F196-F230 AromaticContact CG-CE2 3.91Å; F196-F230 HydrophobicContact CG-CE2 3.91Å; F196-F230 AromaticContact CG-CZ 3.7Å; F196-F230 HydrophobicContact CG-CZ 3.7Å; F196-F230 HydrophobicContact CZ-CE1 4.39Å; F196-F230 AromaticContact CZ-CZ 3.77Å; F196-F230 HydrophobicContact CZ-CZ 3.77Å; F196-F237 HydrophobicContact CE1-CD1 4.49Å; F196-F237 HydrophobicContact CE1-CE1 4.11Å; F196-F237 HydrophobicContact CE1-CZ 4.13Å; F196-L254 HydrophobicContact CE1-CD2 4.3Å; F196-L254 HydrophobicContact CZ-CD2 4.22Å
197	L	96.5	Very high	95.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	135	176.7	58.2	96.5	0	0	0	110.8	F179 F181 V183 E185 I186 F195 I204 N205 L207	F179-L197 HydrophobicContact CD1-CD1 4.44Å; F179-L197 HydrophobicContact CD1-CD2 4.25Å; F179-L197 HydrophobicContact CE1-CD1 4.44Å; F179-L197 HydrophobicContact CE1-CD2 3.54Å; F179-L197 HydrophobicContact CE2-CD2 3.97Å; F179-L197 HydrophobicContact CZ-CD2 3.38Å; F181-L197 HydrophobicContact CE2-CD1 3.36Å; F181-L197 HydrophobicContact CZ-CD1 3.56Å; V183-L197 HydrophobicContact CG1-CB 4.33Å; E185-L197 WeakPolarHBondContact O-CA 3.48Å; I186-L197 HydrophobicContact CG2-CB 4.03Å; F195-L197 HydrophobicContact CD1-CD2 4.18Å; F195-L197 HydrophobicContact CE1-CD2 4.11Å; L197-I204 WeakPolarHBondContact O-CA 3.38Å; L197-N205 HydrophobicContact CD1-CB 3.61Å; L197-N205 HydrophobicContact CG-CB 3.92Å; L197-N205 PolarHBondContact N-O 2.53Å; L197-N205 PolarHBondContact O-N 3.37Å; L197-L207 HydrophobicContact CD2-CD1 3.5Å; L197-L207 VanDerWaalsContact CD2-CD1 3.5Å; L197-L207 HydrophobicContact CD2-CD2 4.43Å; L197-L207 HydrophobicContact CG-CD1 4.14Å
198	T	96.1	Very high	95.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	152	178.2	66.1	0	0	0	0	110.1	N184 E185 C225 I228	N184-T198 WeakPolarHBondContact CB-OG1 3.35Å; N184-T198 PolarHBondContact N-O 3.18Å; N184-T198 VanDerWaalsContact N-O 3.09Å; E185-T198 PolarHBondContact N-OG1 2.92Å; E185-T198 PolarHBondContact O-N 2.86Å; E185-T198 PolarHBondContact O-OG1 3.32Å; T198-C225 VanDerWaalsContact CB-O 3.25Å; T198-C225 WeakPolarHBondContact CB-O 3.33Å; T198-C225 HydrophobicContact CG2-CB 4.25Å; T198-C225 WeakPolarHBondContact CG2-SG 3.24Å; T198-C225 PolarHBondContact OG1-O 3.03Å; T198-I228 HydrophobicContact CG2-CB 3.72Å; T198-I228 HydrophobicContact CG2-CG2 3.68Å
199	N	92.8	Very high	95.5	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	169.3	177.6	76.6	13.3	0	0	0	115.3	F181 E182 N201 G202 C203 C225	F181-N199 HydrophobicContact CD2-CB 3.45Å; F181-N199 VanDerWaalsContact CD2-CB 3.45Å; F181-N199 HydrophobicContact CE2-CB 3.87Å; F181-N199 HydrophobicContact CG-CB 4.26Å; E182-N199 WeakPolarHBondContact O-CA 3.46Å; E182-N199 VanDerWaalsContact O-CB 3.26Å; E182-N199 WeakPolarHBondContact O-CB 3.13Å; N199-N201 PolarHBondContact O-N 2.9Å; N199-N201 VanDerWaalsContact O-N 3.15Å; N199-N201 WeakPolarHBondContact OD1-CA 3.25Å; N199-N201 PolarHBondContact OD1-N 2.88Å; N199-G202 PolarHBondContact O-N 2.95Å; N199-G202 PolarHBondContact OD1-N 2.68Å; N199-C203 PolarHBondContact N-O 2.86Å; N199-C203 WeakPolarHBondContact OD1-CA 3.13Å; N199-C203 WeakPolarHBondContact OD1-CB 3.33Å; N199-C203 PolarHBondContact OD1-N 3.28Å; N199-C203 PolarHBondContact OD1-O 2.86Å; N199-C225 PolarHBondContact O-N 2.86Å; N199-C225 VanDerWaalsContact O-N 3.12Å
200	G	91	Very high	95.3	Very high	11 Å²	11	33 Å²	33	11%	0.113	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-10.5	176.3	0	0	0	0	0	115.1	E182 N184 N224	E182-G200 PolarHBondContact O-N 3.3Å; E182-G200 WeakPolarHBondContact OE2-CA 3.4Å; N184-G200 PolarHBondContact ND2-N 2.78Å; G200-N224 PolarHBondContact O-OD1 3.2Å
201	N	92.8	Very high	95.3	Very high	122 Å²	122	34.8 Å²	34.8	65%	0.652	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	13.8	178.1	-65.9	-22.9	0	0	0	112.8	N199 C203	N199-N201 PolarHBondContact O-N 2.9Å; N199-N201 VanDerWaalsContact O-N 3.15Å; N199-N201 WeakPolarHBondContact OD1-CA 3.25Å; N199-N201 PolarHBondContact OD1-N 2.88Å; N201-C203 PolarHBondContact O-N 3.19Å
202	G	93.7	Very high	95.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	73.1	13.8	-179.4	0	0	0	0	0	114.5	N199 A220 H221 S223	N199-G202 PolarHBondContact O-N 2.95Å; N199-G202 PolarHBondContact OD1-N 2.68Å; G202-A220 PolarHBondContact O-N 3.11Å; G202-A220 VanDerWaalsContact O-N 3.09Å; G202-H221 WeakPolarHBondContact CA-O 3.42Å; G202-H221 PolarHBondContact O-N 2.83Å; G202-S223 WeakPolarHBondContact CA-O 3.17Å; G202-S223 PolarHBondContact N-O 2.88Å
203	C	95.5	Very high	95.2	Very high	14 Å²	14	33.8 Å²	33.8	10%	0.095	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	153.3	177.3	-45.4	0	0	0	0	111.3	N199 N201 I218 N219	N199-C203 PolarHBondContact N-O 2.86Å; N199-C203 WeakPolarHBondContact OD1-CA 3.13Å; N199-C203 WeakPolarHBondContact OD1-CB 3.33Å; N199-C203 PolarHBondContact OD1-N 3.28Å; N199-C203 PolarHBondContact OD1-O 2.86Å; N201-C203 PolarHBondContact O-N 3.19Å; C203-I218 CarbonylContact C-O 3.59Å; C203-I218 WeakPolarHBondContact CA-O 3.47Å; C203-N219 PolarHBondContact SG-OD1 2.59Å
204	I	96.8	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.5	168.8	-51.7	170.6	0	0	0	106.6	F196 L197 I206 S217 I218 A220 I228 F237 T239	F196-I204 HydrophobicContact CD1-CG2 3.83Å; L197-I204 WeakPolarHBondContact O-CA 3.38Å; I204-I206 HydrophobicContact CG2-CG1 4.49Å; I204-S217 CarbonylContact O-C 3.6Å; I204-S217 WeakPolarHBondContact O-CA 3.22Å; I204-I218 HydrophobicContact CB-CB 4.49Å; I204-I218 PolarHBondContact N-O 3.36Å; I204-I218 PolarHBondContact O-N 2.96Å; I204-A220 HydrophobicContact CD1-CB 3.58Å; I204-A220 HydrophobicContact CG1-CB 3.85Å; I204-I228 HydrophobicContact CG2-CD1 4.21Å; I204-F237 HydrophobicContact CD1-CE2 3.74Å; I204-F237 HydrophobicContact CD1-CZ 4.49Å; I204-T239 HydrophobicContact CD1-CG2 3.38Å; I204-T239 HydrophobicContact CG1-CG2 4.1Å
205	N	96.4	Very high	95.1	Very high	25 Å²	25	37.5 Å²	37.5	13%	0.134	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	137	172.1	-58	-75.6	0	0	0	109.5	F181 F196 L197 L207 S217	F181-N205 WeakPolarHBondContact CE2-ND2 3.34Å; F181-N205 WeakPolarHBondContact CZ-ND2 3.44Å; F196-N205 WeakPolarHBondContact CA-O 3.16Å; L197-N205 HydrophobicContact CD1-CB 3.61Å; L197-N205 HydrophobicContact CG-CB 3.92Å; L197-N205 PolarHBondContact N-O 2.53Å; L197-N205 PolarHBondContact O-N 3.37Å; N205-L207 HydrophobicContact CB-CD1 4.15Å; N205-S217 WeakPolarHBondContact OD1-CB 3.37Å; N205-S217 PolarHBondContact OD1-OG 3.44Å
206	I	96.8	Very high	94.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.3	-178.2	-54.1	175.1	0	0	0	107.2	M194 F196 I204 I215 Q216 I218 L254	M194-I206 HydrophobicContact CB-CG2 4.28Å; M194-I206 HydrophobicContact CG-CG2 4.47Å; M194-I206 HydrophobicContact SD-CG2 3.94Å; F196-I206 HydrophobicContact CD1-CD1 4.27Å; F196-I206 HydrophobicContact CD1-CG1 3.86Å; F196-I206 HydrophobicContact CD2-CG2 4.32Å; F196-I206 HydrophobicContact CE1-CD1 3.56Å; F196-I206 HydrophobicContact CE1-CG1 3.64Å; F196-I206 HydrophobicContact CE1-CG2 4.48Å; F196-I206 HydrophobicContact CE2-CG1 4.45Å; F196-I206 HydrophobicContact CE2-CG2 3.85Å; F196-I206 HydrophobicContact CG-CG1 4.36Å; F196-I206 HydrophobicContact CZ-CD1 3.8Å; F196-I206 HydrophobicContact CZ-CG1 3.95Å; F196-I206 HydrophobicContact CZ-CG2 3.93Å; I204-I206 HydrophobicContact CG2-CG1 4.49Å; I206-I215 HydrophobicContact CG2-CB 4.46Å; I206-I215 HydrophobicContact CG2-CD1 4.45Å; I206-I215 PolarHBondContact O-N 3.21Å; I206-Q216 PolarHBondContact N-O 3.24Å; I206-Q216 PolarHBondContact O-N 3.02Å; I206-I218 HydrophobicContact CD1-CD1 3.66Å; I206-I218 HydrophobicContact CD1-CG1 4.31Å; I206-L254 HydrophobicContact CD1-CD1 3.68Å; I206-L254 HydrophobicContact CD1-CD2 3.8Å; I206-L254 HydrophobicContact CD1-CG 4.37Å
207	L	96.8	Very high	94.8	Very high	7 Å²	7	45 Å²	45	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.3	-180	-69.7	74.1	0	0	0	109.1	F179 M194 F195 L197 N205 L212 K213	F179-L207 HydrophobicContact CE1-CD2 4Å; F179-L207 HydrophobicContact CZ-CD2 3.9Å; M194-L207 CarbonylContact C-O 3.55Å; M194-L207 WeakPolarHBondContact CA-O 3.41Å; F195-L207 HydrophobicContact CB-CB 4.48Å; F195-L207 PolarHBondContact N-O 3.3Å; F195-L207 PolarHBondContact O-N 2.67Å; L197-L207 HydrophobicContact CD2-CD1 3.5Å; L197-L207 VanDerWaalsContact CD2-CD1 3.5Å; L197-L207 HydrophobicContact CD2-CD2 4.43Å; L197-L207 HydrophobicContact CG-CD1 4.14Å; N205-L207 HydrophobicContact CB-CD1 4.15Å; L207-L212 HydrophobicContact CD2-CB 4.43Å; L207-K213 CarbonylContact C-O 3.48Å; L207-K213 VanDerWaalsContact CA-O 3.27Å; L207-K213 WeakPolarHBondContact CA-O 3.4Å
208	S	96.4	Very high	94.8	Very high	26 Å²	26	45.7 Å²	45.7	18%	0.182	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	143.6	167.3	65.6	0	0	0	0	109.5	D193 L212 K213	D193-S208 CarbonylContact O-C 3.54Å; S208-L212 WeakPolarHBondContact O-CA 3.48Å; S208-L212 PolarHBondContact O-N 2.93Å; S208-K213 PolarHBondContact N-O 2.81Å; S208-K213 PolarHBondContact OG-N 2.6Å; S208-K213 VanDerWaalsContact OG-N 3.14Å; S208-K213 PolarHBondContact OG-O 3.39Å
209	Y	95.6	Very high	94.7	Very high	38 Å²	38	52 Å²	52	15%	0.149	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	139.7	168.2	-179.6	-89.4	0	0	0	110	T153 F165 W188 N192 D193 L212	T153-Y209 PolarHBondContact OG1-OH 3.14Å; F165-Y209 HydrophobicContact CD1-CE2 4.4Å; W188-Y209 HydrophobicContact CE3-CD1 4.45Å; W188-Y209 HydrophobicContact CE3-CG 4.24Å; W188-Y209 AromaticContact CH2-CD1 3.38Å; W188-Y209 HydrophobicContact CH2-CD1 3.38Å; W188-Y209 AromaticContact CH2-CD2 3.09Å; W188-Y209 HydrophobicContact CH2-CD2 3.09Å; W188-Y209 AromaticContact CH2-CE1 3.37Å; W188-Y209 HydrophobicContact CH2-CE1 3.37Å; W188-Y209 AromaticContact CH2-CE2 3.15Å; W188-Y209 HydrophobicContact CH2-CE2 3.15Å; W188-Y209 AromaticContact CH2-CG 3.22Å; W188-Y209 HydrophobicContact CH2-CG 3.22Å; W188-Y209 AromaticContact CH2-CZ 3.27Å; W188-Y209 AromaticContact CZ2-CD2 3.88Å; W188-Y209 HydrophobicContact CZ2-CD2 3.88Å; W188-Y209 AromaticContact CZ2-CE2 3.85Å; W188-Y209 HydrophobicContact CZ2-CE2 3.85Å; W188-Y209 HydrophobicContact CZ2-CG 4.34Å; W188-Y209 AromaticContact CZ3-CD1 3.18Å; W188-Y209 HydrophobicContact CZ3-CD1 3.18Å; W188-Y209 AromaticContact CZ3-CD2 3.52Å; W188-Y209 HydrophobicContact CZ3-CD2 3.52Å; W188-Y209 AromaticContact CZ3-CE1 3.61Å; W188-Y209 HydrophobicContact CZ3-CE1 3.61Å; W188-Y209 AromaticContact CZ3-CE2 3.99Å; W188-Y209 HydrophobicContact CZ3-CE2 3.99Å; W188-Y209 AromaticContact CZ3-CG 3.1Å; W188-Y209 HydrophobicContact CZ3-CG 3.1Å; N192-Y209 WeakPolarHBondContact O-CD1 3.35Å; D193-Y209 PolarHBondContact O-N 2.92Å; Y209-L212 HydrophobicContact CD2-CD2 4.12Å
210	P	93.4	Very high	94.8	Very high	90 Å²	90	52.6 Å²	52.6	58%	0.584	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	cis	-86.7	-2.9	7.3	35.5	-36.8	0	0	0	116	L212	P210-L212 VanDerWaalsContact C-N 3.25Å; P210-L212 PolarHBondContact O-N 3.16Å
211	D	92.9	Very high	95.1	Very high	101 Å²	101	52.6 Å²	52.6	54%	0.54	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.9	-172.1	-85.3	10.6	0	0	0	114.5	K213	D211-K213 HydrophobicContact CB-CD 4.21Å; D211-K213 HydrophobicContact CB-CG 4.22Å; D211-K213 PolarHBondContact O-N 3.4Å; D211-K213 VanDerWaalsContact O-N 3.13Å; D211-K213 IonicContact OD2-NZ 3.58Å; D211-K213 PolarHBondContact OD2-NZ 2.9Å
212	L	93.7	Very high	95.1	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.089	30%	0.297	C	S	.	.			trans	53.2	29.6	-177.3	-57.4	173.6	0	0	0	114	F165 A175 E177 L207 S208 Y209 P210	F165-L212 HydrophobicContact CD2-CD1 3.79Å; F165-L212 HydrophobicContact CE1-CD2 4.28Å; F165-L212 HydrophobicContact CE2-CD1 3.42Å; F165-L212 VanDerWaalsContact CE2-CD1 3.42Å; F165-L212 HydrophobicContact CE2-CD2 3.83Å; F165-L212 HydrophobicContact CE2-CG 4.3Å; F165-L212 HydrophobicContact CZ-CD1 4.07Å; F165-L212 HydrophobicContact CZ-CD2 3.57Å; A175-L212 HydrophobicContact CB-CD1 4.2Å; E177-L212 HydrophobicContact CG-CB 4.29Å; E177-L212 HydrophobicContact CG-CD1 3.54Å; E177-L212 HydrophobicContact CG-CG 4.5Å; L207-L212 HydrophobicContact CD2-CB 4.43Å; S208-L212 WeakPolarHBondContact O-CA 3.48Å; S208-L212 PolarHBondContact O-N 2.93Å; Y209-L212 HydrophobicContact CD2-CD2 4.12Å; P210-L212 VanDerWaalsContact C-N 3.25Å; P210-L212 PolarHBondContact O-N 3.16Å
213	K	94.4	Very high	95.2	Very high	122 Å²	122	54.4 Å²	54.4	53%	0.53	31%	0.309	S	S	.	.			trans	-79.6	133.3	173.7	-68.7	169.3	-174.1	145.7	0	110.3	L207 S208 D211 I215	L207-K213 CarbonylContact C-O 3.48Å; L207-K213 VanDerWaalsContact CA-O 3.27Å; L207-K213 WeakPolarHBondContact CA-O 3.4Å; S208-K213 PolarHBondContact N-O 2.81Å; S208-K213 PolarHBondContact OG-N 2.6Å; S208-K213 VanDerWaalsContact OG-N 3.14Å; S208-K213 PolarHBondContact OG-O 3.39Å; D211-K213 HydrophobicContact CB-CD 4.21Å; D211-K213 HydrophobicContact CB-CG 4.22Å; D211-K213 PolarHBondContact O-N 3.4Å; D211-K213 VanDerWaalsContact O-N 3.13Å; D211-K213 IonicContact OD2-NZ 3.58Å; D211-K213 PolarHBondContact OD2-NZ 2.9Å; K213-I215 PolarHBondContact O-N 3.2Å
214	P	94.9	Very high	95.2	Very high	116 Å²	116	56.6 Å²	56.6	75%	0.753	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	124.8	172.5	-21.9	32.8	0	0	0	111.1
215	I	95.1	Very high	95.1	Very high	90 Å²	90	56.6 Å²	56.6	46%	0.462	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-54.9	174	-62.9	173.2	0	0	0	109	M194 I206 K213	M194-I215 HydrophobicContact CG-CD1 4.27Å; M194-I215 HydrophobicContact SD-CD1 4.49Å; I206-I215 HydrophobicContact CG2-CB 4.46Å; I206-I215 HydrophobicContact CG2-CD1 4.45Å; I206-I215 PolarHBondContact O-N 3.21Å; K213-I215 PolarHBondContact O-N 3.2Å
216	Q	94.1	Very high	95.1	Very high	92 Å²	92	57.2 Å²	57.2	43%	0.43	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154	-172.2	-172.7	169.3	-13.4	0	0	111.4	I206 I218	I206-Q216 PolarHBondContact N-O 3.24Å; I206-Q216 PolarHBondContact O-N 3.02Å; Q216-I218 HydrophobicContact CG-CG1 4.07Å
217	S	95.1	Very high	95.1	Very high	65 Å²	65	57.5 Å²	57.5	46%	0.455	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127	167.2	-165.6	0	0	0	0	108.6	I204 N205	I204-S217 CarbonylContact O-C 3.6Å; I204-S217 WeakPolarHBondContact O-CA 3.22Å; N205-S217 WeakPolarHBondContact OD1-CB 3.37Å; N205-S217 PolarHBondContact OD1-OG 3.44Å
218	I	95.5	Very high	95.1	Very high	15 Å²	15	57.6 Å²	57.6	8%	0.077	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.3	-176.3	-56.4	178	0	0	0	108.3	C203 I204 I206 Q216 A220 W249 L254	C203-I218 CarbonylContact C-O 3.59Å; C203-I218 WeakPolarHBondContact CA-O 3.47Å; I204-I218 HydrophobicContact CB-CB 4.49Å; I204-I218 PolarHBondContact N-O 3.36Å; I204-I218 PolarHBondContact O-N 2.96Å; I206-I218 HydrophobicContact CD1-CD1 3.66Å; I206-I218 HydrophobicContact CD1-CG1 4.31Å; Q216-I218 HydrophobicContact CG-CG1 4.07Å; I218-A220 PolarHBondContact O-N 3.46Å; I218-A220 VanDerWaalsContact O-N 3.08Å; I218-W249 HydrophobicContact CG2-CE3 4.37Å; I218-W249 HydrophobicContact CG2-CH2 3.47Å; I218-W249 VanDerWaalsContact CG2-CH2 3.47Å; I218-W249 HydrophobicContact CG2-CZ2 4.32Å; I218-W249 HydrophobicContact CG2-CZ3 3.5Å; I218-L254 HydrophobicContact CD1-CB 3.99Å; I218-L254 HydrophobicContact CD1-CD1 4.41Å; I218-L254 HydrophobicContact CD1-CD2 4.38Å
219	N	94.8	Very high	95.2	Very high	133 Å²	133	60.5 Å²	60.5	71%	0.711	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	87.6	171.1	-64.1	-31.3	0	0	0	108.9	C203	C203-N219 PolarHBondContact SG-OD1 2.59Å
220	A	94.8	Very high	95.3	Very high	19 Å²	19	58.9 Å²	58.9	16%	0.157	33%	0.329	C	S	.	.			trans	-81	-37	-174.9	0	0	0	0	0	112.7	G202 I204 I218 W249	G202-A220 PolarHBondContact O-N 3.11Å; G202-A220 VanDerWaalsContact O-N 3.09Å; I204-A220 HydrophobicContact CD1-CB 3.58Å; I204-A220 HydrophobicContact CG1-CB 3.85Å; I218-A220 PolarHBondContact O-N 3.46Å; I218-A220 VanDerWaalsContact O-N 3.08Å; A220-W249 HydrophobicContact CB-CH2 4.25Å; A220-W249 HydrophobicContact CB-CZ2 3.52Å
221	H	96.8	Very high	95.4	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.056	30%	0.301	C	S	.	.			trans	-137.1	153.4	-175.7	-70.1	-90.2	0	0	0	111.7	G202 S223 T239 S241 D243 L245 S247	G202-H221 WeakPolarHBondContact CA-O 3.42Å; G202-H221 PolarHBondContact O-N 2.83Å; H221-S223 WeakPolarHBondContact CB-O 3.49Å; H221-S223 PolarHBondContact O-N 2.78Å; H221-T239 PolarHBondContact NE2-OG1 3.29Å; H221-S241 WeakPolarHBondContact CB-OG 3.4Å; H221-S241 VanDerWaalsContact ND1-CB 3.27Å; H221-S241 WeakPolarHBondContact ND1-CB 3.49Å; H221-D243 IonicContact CE1-OD1 3.74Å; H221-D243 IonicContact CE1-OD2 3.43Å; H221-D243 IonicContact CG-OD2 3.81Å; H221-D243 IonicContact ND1-OD1 2.88Å; H221-D243 PolarHBondContact ND1-OD1 2.77Å; H221-D243 IonicContact ND1-OD2 2.68Å; H221-D243 PolarHBondContact ND1-OD2 3.43Å; H221-L245 PolarHBondContact CE1-O 2.83Å; H221-S247 PolarHBondContact CE1-OG 3.5Å; H221-S247 PolarHBondContact NE2-OG 2.9Å
222	P	94.6	Very high	95.5	Very high	121 Å²	121	53 Å²	53	79%	0.786	30%	0.296	S	S	*	.	S	Bend	trans	-74	-13.4	171.9	31.6	-37.1	0	0	0	113.7	D243	P222-D243 VanDerWaalsContact CD-OD2 3.32Å; P222-D243 WeakPolarHBondContact CD-OD2 3.39Å; P222-D243 HydrophobicContact CG-CB 4.37Å
223	S	95.1	Very high	95.5	Very high	38 Å²	38	56.4 Å²	56.4	27%	0.266	32%	0.318	S	S	.	.	S	Bend	trans	-131	168	-177	-165	0	0	0	0	110.8	G202 H221 C225 S241 A242	G202-S223 WeakPolarHBondContact CA-O 3.17Å; G202-S223 PolarHBondContact N-O 2.88Å; H221-S223 WeakPolarHBondContact CB-O 3.49Å; H221-S223 PolarHBondContact O-N 2.78Å; S223-C225 PolarHBondContact O-N 2.86Å; S223-S241 PolarHBondContact O-OG 2.8Å; S223-A242 WeakPolarHBondContact OG-CB 3.25Å
224	N	94.6	Very high	95.5	Very high	61 Å²	61	51.8 Å²	51.8	33%	0.326	31%	0.305	S	S	.	.			trans	-42.7	125.4	-175.8	-57.1	37.4	0	0	0	111.8	G200 I226 S241 A242	G200-N224 PolarHBondContact O-OD1 3.2Å; N224-I226 PolarHBondContact O-N 2.94Å; N224-S241 CarbonylContact O-C 3.57Å; N224-S241 VanDerWaalsContact O-CA 3.26Å; N224-S241 WeakPolarHBondContact O-CA 3.4Å; N224-S241 WeakPolarHBondContact O-CB 3.45Å; N224-S241 PolarHBondContact O-OG 2.94Å; N224-A242 HydrophobicContact CB-CB 4.26Å; N224-A242 PolarHBondContact O-N 2.87Å
225	C	96	Very high	95.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	107.4	174.5	-176.1	0	0	0	0	107.8	N184 T198 N199 S223	N184-C225 VanDerWaalsContact CB-O 3.28Å; N184-C225 WeakPolarHBondContact CB-O 2.91Å; N184-C225 PolarHBondContact ND2-O 3Å; T198-C225 VanDerWaalsContact CB-O 3.25Å; T198-C225 WeakPolarHBondContact CB-O 3.33Å; T198-C225 HydrophobicContact CG2-CB 4.25Å; T198-C225 WeakPolarHBondContact CG2-SG 3.24Å; T198-C225 PolarHBondContact OG1-O 3.03Å; N199-C225 PolarHBondContact O-N 2.86Å; N199-C225 VanDerWaalsContact O-N 3.12Å; S223-C225 PolarHBondContact O-N 2.86Å
226	I	95.6	Very high	95.7	Very high	37 Å²	37	46.9 Å²	46.9	19%	0.19	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-46.5	-166.9	-64.5	172.4	0	0	0	111	E185 N224 G240 A242 P266 V267	E185-I226 WeakPolarHBondContact CB-O 3.31Å; N224-I226 PolarHBondContact O-N 2.94Å; I226-G240 PolarHBondContact N-O 2.98Å; I226-A242 HydrophobicContact CD1-CB 4Å; I226-P266 HydrophobicContact CD1-CB 3.86Å; I226-V267 WeakPolarHBondContact CD1-O 3.38Å
227	C	96.1	Very high	95.9	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.047	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.6	-175.8	53.1	0	0	0	0	111.4	T239 G240	C227-T239 CarbonylContact O-C 3.51Å; C227-T239 VanDerWaalsContact O-CA 3.31Å; C227-T239 WeakPolarHBondContact O-CA 3.27Å; C227-G240 PolarHBondContact N-O 3.13Å; C227-G240 PolarHBondContact O-N 3.18Å
228	I	97.8	Very high	96	Very high	9 Å²	9	39.4 Å²	39.4	5%	0.046	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.7	173.1	-178.8	164.9	0	0	0	108.9	E185 F196 T198 I204 F230 F237 A238 T239	E185-I228 HydrophobicContact CB-CG2 4.08Å; E185-I228 HydrophobicContact CG-CG2 3.85Å; F196-I228 HydrophobicContact CB-CD1 4Å; F196-I228 HydrophobicContact CD1-CD1 4.01Å; F196-I228 HydrophobicContact CG-CD1 4.42Å; T198-I228 HydrophobicContact CG2-CB 3.72Å; T198-I228 HydrophobicContact CG2-CG2 3.68Å; I204-I228 HydrophobicContact CG2-CD1 4.21Å; I228-F230 HydrophobicContact CD1-CE2 4.3Å; I228-F237 HydrophobicContact CD1-CD2 3.87Å; I228-F237 HydrophobicContact CD1-CE2 4.33Å; I228-F237 HydrophobicContact CG1-CD2 4.27Å; I228-A238 CarbonylContact C-O 3.52Å; I228-A238 WeakPolarHBondContact CA-O 3.31Å; I228-T239 HydrophobicContact CB-CG2 3.88Å; I228-T239 HydrophobicContact CD1-CG2 3.81Å; I228-T239 HydrophobicContact CG1-CG2 3.74Å
229	K	98	Very high	96.2	Very high	87 Å²	87	38.7 Å²	38.7	38%	0.378	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	130.4	174.4	-165.2	70.4	-169.9	67.3	0	110.7	F237 A238 L270 F272	K229-F237 WeakPolarHBondContact O-CA 3.32Å; K229-A238 PolarHBondContact N-O 3.07Å; K229-A238 PolarHBondContact O-N 3.29Å; K229-L270 HydrophobicContact CB-CB 4.26Å; K229-F272 HydrophobicContact CG-CD2 4.37Å; K229-F272 VanDerWaalsContact O-CE2 3.31Å; K229-F272 WeakPolarHBondContact O-CE2 3.13Å
230	F	97.8	Very high	96.3	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	144.2	167.9	-76.6	-98.9	0	0	0	110.9	W188 N189 F196 I228 F237 V251	W188-F230 VanDerWaalsContact O-CD2 3.28Å; W188-F230 WeakPolarHBondContact O-CD2 3.47Å; N189-F230 HydrophobicContact CB-CD1 4.47Å; N189-F230 HydrophobicContact CB-CE1 3.86Å; N189-F230 HydrophobicContact CB-CZ 4.11Å; F196-F230 HydrophobicContact CB-CE2 4.18Å; F196-F230 HydrophobicContact CB-CZ 4.46Å; F196-F230 HydrophobicContact CD1-CE2 4.21Å; F196-F230 AromaticContact CD1-CZ 3.77Å; F196-F230 HydrophobicContact CD1-CZ 3.77Å; F196-F230 HydrophobicContact CD2-CE2 4.08Å; F196-F230 AromaticContact CD2-CZ 3.62Å; F196-F230 HydrophobicContact CD2-CZ 3.62Å; F196-F230 AromaticContact CE1-CZ 3.8Å; F196-F230 HydrophobicContact CE1-CZ 3.8Å; F196-F230 HydrophobicContact CE2-CE1 4.43Å; F196-F230 AromaticContact CE2-CZ 3.67Å; F196-F230 HydrophobicContact CE2-CZ 3.67Å; F196-F230 AromaticContact CG-CE2 3.91Å; F196-F230 HydrophobicContact CG-CE2 3.91Å; F196-F230 AromaticContact CG-CZ 3.7Å; F196-F230 HydrophobicContact CG-CZ 3.7Å; F196-F230 HydrophobicContact CZ-CE1 4.39Å; F196-F230 AromaticContact CZ-CZ 3.77Å; F196-F230 HydrophobicContact CZ-CZ 3.77Å; I228-F230 HydrophobicContact CD1-CE2 4.3Å; F230-F237 HydrophobicContact CD1-CB 3.79Å; F230-F237 HydrophobicContact CD2-CB 4.24Å; F230-F237 HydrophobicContact CE1-CB 3.82Å; F230-F237 HydrophobicContact CE1-CD1 4.16Å; F230-F237 HydrophobicContact CE1-CG 4.23Å; F230-F237 HydrophobicContact CE2-CB 4.25Å; F230-F237 HydrophobicContact CG-CB 4.01Å; F230-F237 HydrophobicContact CZ-CB 4.03Å; F230-F237 HydrophobicContact CZ-CD1 4.4Å; F230-F237 HydrophobicContact CZ-CG 4.25Å; F230-V251 HydrophobicContact CD1-CG2 3.99Å; F230-V251 HydrophobicContact CE1-CG1 4.22Å; F230-V251 HydrophobicContact CE1-CG2 3.86Å
231	D	96.3	Very high	96.5	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.181	C	C	.	.			trans	-74.6	151.8	171.1	95.2	-67.5	0	0	0	110.6	N190 T233 G234 K235 Y236 F272	N190-D231 PolarHBondContact ND2-O 2.92Å; D231-T233 PolarHBondContact O-N 2.94Å; D231-T233 WeakPolarHBondContact OD2-CA 3.33Å; D231-T233 WeakPolarHBondContact OD2-CB 3.26Å; D231-T233 PolarHBondContact OD2-N 2.59Å; D231-T233 PolarHBondContact OD2-OG1 2.9Å; D231-G234 PolarHBondContact O-N 3.06Å; D231-G234 WeakPolarHBondContact OD1-CA 3.3Å; D231-G234 PolarHBondContact OD1-N 3.49Å; D231-K235 PolarHBondContact OD1-N 3.47Å; D231-Y236 WeakPolarHBondContact CB-O 3.37Å; D231-Y236 PolarHBondContact N-O 2.88Å; D231-Y236 PolarHBondContact OD1-N 2.97Å; D231-F272 HydrophobicContact CB-CB 4.27Å; D231-F272 HydrophobicContact CB-CD1 3.87Å; D231-F272 HydrophobicContact CB-CD2 3.83Å; D231-F272 HydrophobicContact CB-CE1 4.09Å; D231-F272 HydrophobicContact CB-CE2 4.06Å; D231-F272 HydrophobicContact CB-CG 3.73Å; D231-F272 HydrophobicContact CB-CZ 4.17Å
232	P	94.1	Very high	96.5	Very high	67 Å²	67	32.4 Å²	32.4	44%	0.435	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.8	-178.2	-23.6	36.5	0	0	0	114.4
233	T	94.6	Very high	96.6	Very high	89 Å²	89	28.7 Å²	28.7	55%	0.546	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.8	178.9	79.7	0	0	0	0	112.8	D231 K235	D231-T233 PolarHBondContact O-N 2.94Å; D231-T233 WeakPolarHBondContact OD2-CA 3.33Å; D231-T233 WeakPolarHBondContact OD2-CB 3.26Å; D231-T233 PolarHBondContact OD2-N 2.59Å; D231-T233 PolarHBondContact OD2-OG1 2.9Å; T233-K235 VanDerWaalsContact C-N 3.28Å
234	G	93.9	Very high	96.7	Very high	25 Å²	25	27.5 Å²	27.5	26%	0.258	16%	0.157	S	C	.	.	S	Bend	trans	79.7	8.1	-179.3	0	0	0	0	0	114.2	N190 D231 V251	N190-G234 WeakPolarHBondContact ND2-CA 3.43Å; N190-G234 PolarHBondContact ND2-N 2.84Å; N190-G234 VanDerWaalsContact ND2-N 3.12Å; D231-G234 PolarHBondContact O-N 3.06Å; D231-G234 WeakPolarHBondContact OD1-CA 3.3Å; D231-G234 PolarHBondContact OD1-N 3.49Å; G234-V251 WeakPolarHBondContact O-CB 3.5Å; G234-V251 WeakPolarHBondContact O-CG2 3.37Å
235	K	96	Very high	96.9	Very high	89 Å²	89	27.1 Å²	27.1	39%	0.387	16%	0.155	S	C	.	.	S	Bend	trans	-80	-39.4	179.5	-173.9	178.6	178.9	-168.9	0	112	D231 T233 V251 E294	D231-K235 PolarHBondContact OD1-N 3.47Å; T233-K235 VanDerWaalsContact C-N 3.28Å; K235-V251 PolarHBondContact O-N 3.1Å; K235-V251 VanDerWaalsContact O-N 3.09Å; K235-E294 IonicContact NZ-OE1 2.71Å; K235-E294 PolarHBondContact NZ-OE1 3.17Å; K235-E294 IonicContact NZ-OE2 2.73Å
236	Y	97.9	Very high	97	Very high	13 Å²	13	27.2 Å²	27.2	5%	0.051	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154	-172.5	-57.6	-61	0	0	0	112.6	D231 L248 W249 V257 V293 E294	D231-Y236 WeakPolarHBondContact CB-O 3.37Å; D231-Y236 PolarHBondContact N-O 2.88Å; D231-Y236 PolarHBondContact OD1-N 2.97Å; Y236-L248 HydrophobicContact CD1-CD2 4.38Å; Y236-L248 HydrophobicContact CD1-CG 4.39Å; Y236-L248 HydrophobicContact CD2-CD2 4.48Å; Y236-L248 HydrophobicContact CG-CD1 4.2Å; Y236-L248 HydrophobicContact CG-CD2 4.3Å; Y236-L248 HydrophobicContact CG-CG 4.3Å; Y236-W249 CarbonylContact C-O 3.59Å; Y236-W249 WeakPolarHBondContact CA-O 3.27Å; Y236-W249 WeakPolarHBondContact CB-O 3.45Å; Y236-W249 WeakPolarHBondContact CD1-O 3.48Å; Y236-V257 HydrophobicContact CD1-CG2 4.34Å; Y236-V257 HydrophobicContact CE1-CG2 4.02Å; Y236-V293 HydrophobicContact CD2-CG1 3.56Å; Y236-V293 HydrophobicContact CE2-CG1 3.68Å; Y236-V293 HydrophobicContact CG-CG1 4.47Å; Y236-E294 WeakPolarHBondContact CE2-OE1 3.23Å; Y236-E294 PolarHBondContact OH-OE1 3.29Å; Y236-E294 PolarHBondContact OH-OE2 2.92Å; Y236-E294 VanDerWaalsContact OH-OE2 3.11Å
237	F	98.1	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.1	159.4	68.2	-86.1	0	0	0	109.7	F196 I204 I228 K229 F230 T239 W249 V251 L254	F196-F237 HydrophobicContact CE1-CD1 4.49Å; F196-F237 HydrophobicContact CE1-CE1 4.11Å; F196-F237 HydrophobicContact CE1-CZ 4.13Å; I204-F237 HydrophobicContact CD1-CE2 3.74Å; I204-F237 HydrophobicContact CD1-CZ 4.49Å; I228-F237 HydrophobicContact CD1-CD2 3.87Å; I228-F237 HydrophobicContact CD1-CE2 4.33Å; I228-F237 HydrophobicContact CG1-CD2 4.27Å; K229-F237 WeakPolarHBondContact O-CA 3.32Å; F230-F237 HydrophobicContact CD1-CB 3.79Å; F230-F237 HydrophobicContact CD2-CB 4.24Å; F230-F237 HydrophobicContact CE1-CB 3.82Å; F230-F237 HydrophobicContact CE1-CD1 4.16Å; F230-F237 HydrophobicContact CE1-CG 4.23Å; F230-F237 HydrophobicContact CE2-CB 4.25Å; F230-F237 HydrophobicContact CG-CB 4.01Å; F230-F237 HydrophobicContact CZ-CB 4.03Å; F230-F237 HydrophobicContact CZ-CD1 4.4Å; F230-F237 HydrophobicContact CZ-CG 4.25Å; F237-T239 HydrophobicContact CD2-CG2 4.21Å; F237-T239 HydrophobicContact CE2-CG2 4.29Å; F237-W249 HydrophobicContact CD1-CB 3.78Å; F237-W249 HydrophobicContact CD2-CB 3.98Å; F237-W249 HydrophobicContact CD2-CG 4.26Å; F237-W249 HydrophobicContact CE1-CB 3.31Å; F237-W249 HydrophobicContact CE1-CG 4.17Å; F237-W249 HydrophobicContact CE2-CB 3.5Å; F237-W249 VanDerWaalsContact CE2-CB 3.5Å; F237-W249 AromaticContact CE2-CD1 3.67Å; F237-W249 HydrophobicContact CE2-CD2 4.25Å; F237-W249 AromaticContact CE2-CG 3.52Å; F237-W249 HydrophobicContact CE2-CG 3.52Å; F237-W249 HydrophobicContact CG-CB 4.12Å; F237-W249 HydrophobicContact CZ-CB 3.16Å; F237-W249 HydrophobicContact CZ-CD2 4.04Å; F237-W249 HydrophobicContact CZ-CE3 4.41Å; F237-W249 AromaticContact CZ-CG 3.5Å; F237-W249 HydrophobicContact CZ-CG 3.5Å; F237-W249 PolarHBondContact N-O 2.78Å; F237-W249 PolarHBondContact O-N 3.22Å; F237-V251 HydrophobicContact CD1-CG2 3.84Å; F237-L254 HydrophobicContact CE1-CD2 3.97Å; F237-L254 HydrophobicContact CZ-CD2 4.42Å
238	A	98.6	Very high	97.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.5	175.2	0	0	0	0	0	110.2	I228 K229 V246 S247 L248 L270 F272 L279	I228-A238 CarbonylContact C-O 3.52Å; I228-A238 WeakPolarHBondContact CA-O 3.31Å; K229-A238 PolarHBondContact N-O 3.07Å; K229-A238 PolarHBondContact O-N 3.29Å; A238-V246 HydrophobicContact CB-CG1 4.19Å; A238-S247 CarbonylContact C-O 3.47Å; A238-S247 VanDerWaalsContact CA-O 3.27Å; A238-S247 WeakPolarHBondContact CA-O 3.41Å; A238-L248 HydrophobicContact CB-CD1 4.16Å; A238-L270 HydrophobicContact CB-CD1 4.03Å; A238-F272 HydrophobicContact CB-CE2 3.68Å; A238-F272 HydrophobicContact CB-CZ 3.68Å; A238-L279 HydrophobicContact CB-CD1 4.28Å; A238-L279 HydrophobicContact CB-CD2 3.83Å
239	T	98.4	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.7	171.9	51	0	0	0	0	111.2	I204 H221 C227 I228 F237 V246 S247	I204-T239 HydrophobicContact CD1-CG2 3.38Å; I204-T239 HydrophobicContact CG1-CG2 4.1Å; H221-T239 PolarHBondContact NE2-OG1 3.29Å; C227-T239 CarbonylContact O-C 3.51Å; C227-T239 VanDerWaalsContact O-CA 3.31Å; C227-T239 WeakPolarHBondContact O-CA 3.27Å; I228-T239 HydrophobicContact CB-CG2 3.88Å; I228-T239 HydrophobicContact CD1-CG2 3.81Å; I228-T239 HydrophobicContact CG1-CG2 3.74Å; F237-T239 HydrophobicContact CD2-CG2 4.21Å; F237-T239 HydrophobicContact CE2-CG2 4.29Å; T239-V246 CarbonylContact O-C 3.39Å; T239-V246 VanDerWaalsContact O-CA 3.3Å; T239-V246 WeakPolarHBondContact O-CA 3.3Å; T239-S247 PolarHBondContact N-O 3.01Å; T239-S247 PolarHBondContact O-N 3.46Å; T239-S247 PolarHBondContact OG1-OG 3.05Å
240	G	98.1	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.4	177.6	0	0	0	0	0	109.9	I226 C227	I226-G240 PolarHBondContact N-O 2.98Å; C227-G240 PolarHBondContact N-O 3.13Å; C227-G240 PolarHBondContact O-N 3.18Å
241	S	97.9	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	164.8	-175.2	171.4	0	0	0	0	112.7	H221 S223 N224 D243 A244 L245 V267	H221-S241 WeakPolarHBondContact CB-OG 3.4Å; H221-S241 VanDerWaalsContact ND1-CB 3.27Å; H221-S241 WeakPolarHBondContact ND1-CB 3.49Å; S223-S241 PolarHBondContact O-OG 2.8Å; N224-S241 CarbonylContact O-C 3.57Å; N224-S241 VanDerWaalsContact O-CA 3.26Å; N224-S241 WeakPolarHBondContact O-CA 3.4Å; N224-S241 WeakPolarHBondContact O-CB 3.45Å; N224-S241 PolarHBondContact O-OG 2.94Å; S241-D243 WeakPolarHBondContact CB-OD1 3.47Å; S241-D243 PolarHBondContact O-N 3.47Å; S241-D243 PolarHBondContact OG-N 2.9Å; S241-D243 PolarHBondContact OG-OD1 3.03Å; S241-A244 PolarHBondContact O-N 2.9Å; S241-L245 PolarHBondContact N-O 3.2Å; S241-L245 VanDerWaalsContact N-O 3.1Å; S241-V267 PolarHBondContact O-N 3.14Å
242	A	97.4	Very high	96.8	Very high	33 Å²	33	31.9 Å²	31.9	27%	0.273	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-9.7	171.4	0	0	0	0	0	113.9	S223 N224 I226 A244 P266	S223-A242 WeakPolarHBondContact OG-CB 3.25Å; N224-A242 HydrophobicContact CB-CB 4.26Å; N224-A242 PolarHBondContact O-N 2.87Å; I226-A242 HydrophobicContact CD1-CB 4Å; A242-A244 PolarHBondContact O-N 3.42Å; A242-P266 HydrophobicContact CB-CB 4.32Å; A242-P266 HydrophobicContact CB-CG 4.39Å
243	D	96.8	Very high	96.8	Very high	42 Å²	42	34.9 Å²	34.9	23%	0.225	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	9.9	173.3	68.5	-1.4	0	0	0	114.1	H221 P222 S241 L245	H221-D243 IonicContact CE1-OD1 3.74Å; H221-D243 IonicContact CE1-OD2 3.43Å; H221-D243 IonicContact CG-OD2 3.81Å; H221-D243 IonicContact ND1-OD1 2.88Å; H221-D243 PolarHBondContact ND1-OD1 2.77Å; H221-D243 IonicContact ND1-OD2 2.68Å; H221-D243 PolarHBondContact ND1-OD2 3.43Å; P222-D243 VanDerWaalsContact CD-OD2 3.32Å; P222-D243 WeakPolarHBondContact CD-OD2 3.39Å; P222-D243 HydrophobicContact CG-CB 4.37Å; S241-D243 WeakPolarHBondContact CB-OD1 3.47Å; S241-D243 PolarHBondContact O-N 3.47Å; S241-D243 PolarHBondContact OG-N 2.9Å; S241-D243 PolarHBondContact OG-OD1 3.03Å; D243-L245 PolarHBondContact O-N 3.31Å; D243-L245 WeakPolarHBondContact OD1-CA 3.25Å; D243-L245 VanDerWaalsContact OD1-CB 3.27Å; D243-L245 WeakPolarHBondContact OD1-CB 3.18Å; D243-L245 PolarHBondContact OD1-N 3.34Å
244	A	97.1	Very high	96.8	Very high	13 Å²	13	32 Å²	32	11%	0.107	17%	0.168	C	C	.	.	S	Bend	trans	63.7	14.5	-175.6	0	0	0	0	0	114.8	S241 A242 L263 W265	S241-A244 PolarHBondContact O-N 2.9Å; A242-A244 PolarHBondContact O-N 3.42Å; A244-L263 WeakPolarHBondContact CB-O 3.16Å; A244-W265 WeakPolarHBondContact CA-O 3.42Å; A244-W265 VanDerWaalsContact CB-O 3.27Å; A244-W265 WeakPolarHBondContact CB-O 3.34Å
245	L	97.8	Very high	96.9	Very high	54 Å²	54	34.5 Å²	34.5	28%	0.283	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-102.6	140.3	176	-60.2	178.5	0	0	0	111.5	H221 S241 D243 S261	H221-L245 PolarHBondContact CE1-O 2.83Å; S241-L245 PolarHBondContact N-O 3.2Å; S241-L245 VanDerWaalsContact N-O 3.1Å; D243-L245 PolarHBondContact O-N 3.31Å; D243-L245 WeakPolarHBondContact OD1-CA 3.25Å; D243-L245 VanDerWaalsContact OD1-CB 3.27Å; D243-L245 WeakPolarHBondContact OD1-CB 3.18Å; D243-L245 PolarHBondContact OD1-N 3.34Å; L245-S261 VanDerWaalsContact CD2-CB 3.41Å
246	V	98.5	Very high	96.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.8	160.9	-176	0	0	0	0	107.7	A238 T239 C259 F260 V267 L270 L279	A238-V246 HydrophobicContact CB-CG1 4.19Å; T239-V246 CarbonylContact O-C 3.39Å; T239-V246 VanDerWaalsContact O-CA 3.3Å; T239-V246 WeakPolarHBondContact O-CA 3.3Å; V246-C259 CarbonylContact O-C 3.53Å; V246-C259 VanDerWaalsContact O-CA 3.25Å; V246-C259 WeakPolarHBondContact O-CA 3.4Å; V246-F260 HydrophobicContact CB-CB 4.2Å; V246-F260 HydrophobicContact CB-CD2 4.02Å; V246-F260 HydrophobicContact CG1-CD2 3.99Å; V246-F260 PolarHBondContact N-O 2.74Å; V246-F260 VanDerWaalsContact N-O 3.13Å; V246-F260 PolarHBondContact O-N 2.85Å; V246-V267 HydrophobicContact CG2-CB 4.48Å; V246-V267 HydrophobicContact CG2-CG1 3.93Å; V246-V267 HydrophobicContact CG2-CG2 3.79Å; V246-L270 HydrophobicContact CB-CD2 4.43Å; V246-L270 HydrophobicContact CG1-CD1 4.09Å; V246-L270 HydrophobicContact CG1-CD2 3.7Å; V246-L270 HydrophobicContact CG2-CD2 3.79Å; V246-L279 HydrophobicContact CG1-CD2 3.78Å
247	S	98.3	Very high	96.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	138.3	172.2	60	0	0	0	0	110.4	H221 A238 T239 W249	H221-S247 PolarHBondContact CE1-OG 3.5Å; H221-S247 PolarHBondContact NE2-OG 2.9Å; A238-S247 CarbonylContact C-O 3.47Å; A238-S247 VanDerWaalsContact CA-O 3.27Å; A238-S247 WeakPolarHBondContact CA-O 3.41Å; T239-S247 PolarHBondContact N-O 3.01Å; T239-S247 PolarHBondContact O-N 3.46Å; T239-S247 PolarHBondContact OG1-OG 3.05Å; S247-W249 PolarHBondContact OG-NE1 2.98Å
248	L	98.6	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.3	178.9	-177.6	78.6	0	0	0	108.8	Y236 A238 V257 R258 F260 F272 V293	Y236-L248 HydrophobicContact CD1-CD2 4.38Å; Y236-L248 HydrophobicContact CD1-CG 4.39Å; Y236-L248 HydrophobicContact CD2-CD2 4.48Å; Y236-L248 HydrophobicContact CG-CD1 4.2Å; Y236-L248 HydrophobicContact CG-CD2 4.3Å; Y236-L248 HydrophobicContact CG-CG 4.3Å; A238-L248 HydrophobicContact CB-CD1 4.16Å; L248-V257 PolarHBondContact O-N 2.77Å; L248-R258 HydrophobicContact CB-CG 3.75Å; L248-R258 HydrophobicContact CD2-CG 3.81Å; L248-R258 HydrophobicContact CG-CG 4.41Å; L248-R258 PolarHBondContact N-O 3.41Å; L248-R258 PolarHBondContact O-N 3.41Å; L248-F260 HydrophobicContact CB-CE2 4.01Å; L248-F272 HydrophobicContact CD1-CE1 4.01Å; L248-F272 HydrophobicContact CD1-CZ 3.54Å; L248-V293 HydrophobicContact CD1-CG1 4.33Å; L248-V293 HydrophobicContact CD2-CG1 3.71Å
249	W	98.3	Very high	96.8	Very high	18 Å²	18	41.3 Å²	41.3	7%	0.068	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	145.1	-171.8	-62.5	76.9	0	0	0	110.5	I218 A220 Y236 F237 S247 V255 C256	I218-W249 HydrophobicContact CG2-CE3 4.37Å; I218-W249 HydrophobicContact CG2-CH2 3.47Å; I218-W249 VanDerWaalsContact CG2-CH2 3.47Å; I218-W249 HydrophobicContact CG2-CZ2 4.32Å; I218-W249 HydrophobicContact CG2-CZ3 3.5Å; A220-W249 HydrophobicContact CB-CH2 4.25Å; A220-W249 HydrophobicContact CB-CZ2 3.52Å; Y236-W249 CarbonylContact C-O 3.59Å; Y236-W249 WeakPolarHBondContact CA-O 3.27Å; Y236-W249 WeakPolarHBondContact CB-O 3.45Å; Y236-W249 WeakPolarHBondContact CD1-O 3.48Å; F237-W249 HydrophobicContact CD1-CB 3.78Å; F237-W249 HydrophobicContact CD2-CB 3.98Å; F237-W249 HydrophobicContact CD2-CG 4.26Å; F237-W249 HydrophobicContact CE1-CB 3.31Å; F237-W249 HydrophobicContact CE1-CG 4.17Å; F237-W249 HydrophobicContact CE2-CB 3.5Å; F237-W249 VanDerWaalsContact CE2-CB 3.5Å; F237-W249 AromaticContact CE2-CD1 3.67Å; F237-W249 HydrophobicContact CE2-CD2 4.25Å; F237-W249 AromaticContact CE2-CG 3.52Å; F237-W249 HydrophobicContact CE2-CG 3.52Å; F237-W249 HydrophobicContact CG-CB 4.12Å; F237-W249 HydrophobicContact CZ-CB 3.16Å; F237-W249 HydrophobicContact CZ-CD2 4.04Å; F237-W249 HydrophobicContact CZ-CE3 4.41Å; F237-W249 AromaticContact CZ-CG 3.5Å; F237-W249 HydrophobicContact CZ-CG 3.5Å; F237-W249 PolarHBondContact N-O 2.78Å; F237-W249 PolarHBondContact O-N 3.22Å; S247-W249 PolarHBondContact OG-NE1 2.98Å; W249-V255 VanDerWaalsContact CA-O 3.31Å; W249-V255 WeakPolarHBondContact CA-O 3.39Å; W249-V255 VanDerWaalsContact CE3-C 3.42Å; W249-C256 HydrophobicContact CD2-CB 3.98Å; W249-C256 HydrophobicContact CE3-CB 3.97Å; W249-C256 HydrophobicContact CH2-CB 3.74Å; W249-C256 HydrophobicContact CZ2-CB 3.75Å; W249-C256 HydrophobicContact CZ3-CB 3.85Å
250	D	96.8	Very high	96.8	Very high	31 Å²	31	41.7 Å²	41.7	17%	0.166	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	133.3	168.5	-168.9	-80.9	0	0	0	109.6	E252 E253 L254 V255 V257	D250-E252 PolarHBondContact OD1-N 2.71Å; D250-E253 HydrophobicContact CB-CB 4.35Å; D250-E253 PolarHBondContact OD1-N 3.22Å; D250-L254 WeakPolarHBondContact O-CA 3.47Å; D250-L254 PolarHBondContact O-N 2.83Å; D250-V255 HydrophobicContact CB-CG2 4.13Å; D250-V255 PolarHBondContact N-O 2.84Å; D250-V257 HydrophobicContact CB-CG2 3.91Å
251	V	94.1	Very high	96.7	Very high	23 Å²	23	46.1 Å²	46.1	14%	0.139	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-36.7	-176.5	175.6	0	0	0	0	111.7	F230 G234 K235 F237 L254	F230-V251 HydrophobicContact CD1-CG2 3.99Å; F230-V251 HydrophobicContact CE1-CG1 4.22Å; F230-V251 HydrophobicContact CE1-CG2 3.86Å; G234-V251 WeakPolarHBondContact O-CB 3.5Å; G234-V251 WeakPolarHBondContact O-CG2 3.37Å; K235-V251 PolarHBondContact O-N 3.1Å; K235-V251 VanDerWaalsContact O-N 3.09Å; F237-V251 HydrophobicContact CD1-CG2 3.84Å; V251-L254 WeakPolarHBondContact O-CD2 3.48Å
252	E	92.1	Very high	96.6	Very high	170 Å²	170	49.1 Å²	49.1	79%	0.794	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-47.6	-175.2	-176.4	172.9	-169.2	0	0	110.6	D250	D250-E252 PolarHBondContact OD1-N 2.71Å
253	E	93.7	Very high	96.5	Very high	130 Å²	130	48 Å²	48	61%	0.607	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.8	-175.5	-63.2	-65.3	160.3	0	0	113	D250 V255	D250-E253 HydrophobicContact CB-CB 4.35Å; D250-E253 PolarHBondContact OD1-N 3.22Å; E253-V255 HydrophobicContact CB-CG1 4.29Å; E253-V255 HydrophobicContact CB-CG2 3.9Å; E253-V255 PolarHBondContact O-N 2.76Å
254	L	94.1	Very high	96.5	Very high	29 Å²	29	52.4 Å²	52.4	15%	0.152	28%	0.283	C	S	.	.			trans	52.8	34.5	-176.6	-61.5	176.8	0	0	0	113.3	F196 I206 I218 F237 D250 V251	F196-L254 HydrophobicContact CE1-CD2 4.3Å; F196-L254 HydrophobicContact CZ-CD2 4.22Å; I206-L254 HydrophobicContact CD1-CD1 3.68Å; I206-L254 HydrophobicContact CD1-CD2 3.8Å; I206-L254 HydrophobicContact CD1-CG 4.37Å; I218-L254 HydrophobicContact CD1-CB 3.99Å; I218-L254 HydrophobicContact CD1-CD1 4.41Å; I218-L254 HydrophobicContact CD1-CD2 4.38Å; F237-L254 HydrophobicContact CE1-CD2 3.97Å; F237-L254 HydrophobicContact CZ-CD2 4.42Å; D250-L254 WeakPolarHBondContact O-CA 3.47Å; D250-L254 PolarHBondContact O-N 2.83Å; V251-L254 WeakPolarHBondContact O-CD2 3.48Å
255	V	95.8	Very high	96.5	Very high	77 Å²	77	59 Å²	59	47%	0.467	31%	0.305	S	S	.	.			trans	-104.9	141.9	177.5	-63.3	0	0	0	0	111.5	W249 D250 E253 V257	W249-V255 VanDerWaalsContact CA-O 3.31Å; W249-V255 WeakPolarHBondContact CA-O 3.39Å; W249-V255 VanDerWaalsContact CE3-C 3.42Å; D250-V255 HydrophobicContact CB-CG2 4.13Å; D250-V255 PolarHBondContact N-O 2.84Å; E253-V255 HydrophobicContact CB-CG1 4.29Å; E253-V255 HydrophobicContact CB-CG2 3.9Å; E253-V255 PolarHBondContact O-N 2.76Å; V255-V257 PolarHBondContact O-N 3.31Å
256	C	97.5	Very high	96.5	Very high	59 Å²	59	58 Å²	58	40%	0.399	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	113.9	172.3	-176.3	0	0	0	0	109.1	W249	W249-C256 HydrophobicContact CD2-CB 3.98Å; W249-C256 HydrophobicContact CE3-CB 3.97Å; W249-C256 HydrophobicContact CH2-CB 3.74Å; W249-C256 HydrophobicContact CZ2-CB 3.75Å; W249-C256 HydrophobicContact CZ3-CB 3.85Å
257	V	97.6	Very high	96.5	Very high	57 Å²	57	57.9 Å²	57.9	35%	0.345	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-41.1	-178.9	-178.9	0	0	0	0	110.1	Y236 L248 D250 V255	Y236-V257 HydrophobicContact CD1-CG2 4.34Å; Y236-V257 HydrophobicContact CE1-CG2 4.02Å; L248-V257 PolarHBondContact O-N 2.77Å; D250-V257 HydrophobicContact CB-CG2 3.91Å; V255-V257 PolarHBondContact O-N 3.31Å
258	R	96.6	Very high	96.4	Very high	56 Å²	56	62.7 Å²	62.7	21%	0.211	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	166	-177.9	63.6	-167.1	74.3	-146.7	6.8	112.1	L248 F260 V293 E294 T295	L248-R258 HydrophobicContact CB-CG 3.75Å; L248-R258 HydrophobicContact CD2-CG 3.81Å; L248-R258 HydrophobicContact CG-CG 4.41Å; L248-R258 PolarHBondContact N-O 3.41Å; L248-R258 PolarHBondContact O-N 3.41Å; R258-F260 HydrophobicContact CG-CE2 4.24Å; R258-F260 HydrophobicContact CG-CZ 4.24Å; R258-V293 WeakPolarHBondContact CD-O 3.3Å; R258-V293 PolarHBondContact NE-O 3.39Å; R258-V293 VanDerWaalsContact NE-O 3.17Å; R258-V293 PolarHBondContact NH1-O 2.99Å; R258-E294 PolarHBondContact NH1-O 3.27Å; R258-E294 PolarHBondContact NH2-O 3.1Å; R258-T295 PolarHBondContact NH1-O 2.77Å
259	C	97.1	Very high	96.3	Very high	73 Å²	73	63.4 Å²	63.4	49%	0.493	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	146.1	168.1	-58	0	0	0	0	110.8	V246	V246-C259 CarbonylContact O-C 3.53Å; V246-C259 VanDerWaalsContact O-CA 3.25Å; V246-C259 WeakPolarHBondContact O-CA 3.4Å
260	F	97.8	Very high	96.3	Very high	9 Å²	9	63 Å²	63	4%	0.039	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.1	170.3	-49.3	-92.6	0	0	0	108.3	V246 L248 R258 L279 A291	V246-F260 HydrophobicContact CB-CB 4.2Å; V246-F260 HydrophobicContact CB-CD2 4.02Å; V246-F260 HydrophobicContact CG1-CD2 3.99Å; V246-F260 PolarHBondContact N-O 2.74Å; V246-F260 VanDerWaalsContact N-O 3.13Å; V246-F260 PolarHBondContact O-N 2.85Å; L248-F260 HydrophobicContact CB-CE2 4.01Å; R258-F260 HydrophobicContact CG-CE2 4.24Å; R258-F260 HydrophobicContact CG-CZ 4.24Å; F260-L279 HydrophobicContact CD2-CD2 4.19Å; F260-L279 HydrophobicContact CE2-CD2 3.73Å; F260-L279 HydrophobicContact CZ-CD2 4.31Å; F260-A291 HydrophobicContact CD1-CB 3.8Å; F260-A291 HydrophobicContact CE1-CB 3.49Å; F260-A291 VanDerWaalsContact CE1-CB 3.49Å; F260-A291 HydrophobicContact CZ-CB 4.2Å
261	S	96.4	Very high	96.4	Very high	92 Å²	92	62.2 Å²	62.2	64%	0.643	32%	0.319	S	S	*	.			trans	-113.4	53	-174.7	65.7	0	0	0	0	111.2	L245	L245-S261 VanDerWaalsContact CD2-CB 3.41Å
262	R	95.7	Very high	96.6	Very high	63 Å²	63	61.6 Å²	61.6	24%	0.238	32%	0.315	C	S	.	.			trans	-108.8	-12.5	-174.3	-71	-167.6	-75.3	-96.6	1.5	114.4	F287 D289 G296	R262-F287 WeakPolarHBondContact O-CZ 3.41Å; R262-D289 WeakPolarHBondContact CD-OD1 3.48Å; R262-D289 IonicContact CZ-OD1 3.24Å; R262-D289 IonicContact CZ-OD2 3.89Å; R262-D289 VanDerWaalsContact CZ-OD2 3.24Å; R262-D289 IonicContact NE-OD1 2.83Å; R262-D289 PolarHBondContact NE-OD1 2.93Å; R262-D289 IonicContact NE-OD2 3.86Å; R262-D289 PolarHBondContact NE-OD2 2.92Å; R262-D289 IonicContact NH2-OD1 2.77Å; R262-D289 IonicContact NH2-OD2 3.77Å; R262-D289 PolarHBondContact NH2-OD2 3.06Å; R262-G296 PolarHBondContact NH1-O 3.19Å
263	L	96.3	Very high	96.9	Very high	9 Å²	9	53.7 Å²	53.7	5%	0.047	28%	0.278	C	S	.	.			trans	-93.4	150.4	175.3	-63.4	170.2	0	0	0	108.3	A244 V267 D285 F287	A244-L263 WeakPolarHBondContact CB-O 3.16Å; L263-V267 HydrophobicContact CD1-CB 4.48Å; L263-V267 HydrophobicContact CD1-CG1 4.27Å; L263-V267 HydrophobicContact CD1-CG2 3.84Å; L263-D285 VanDerWaalsContact CA-OD2 3.3Å; L263-D285 WeakPolarHBondContact CA-OD2 3.34Å; L263-D285 VanDerWaalsContact CB-OD2 3.32Å; L263-D285 WeakPolarHBondContact CB-OD2 3.02Å; L263-D285 HydrophobicContact CD2-CB 4.03Å; L263-D285 WeakPolarHBondContact CD2-OD2 3.37Å; L263-F287 HydrophobicContact CD2-CD2 4.44Å; L263-F287 HydrophobicContact CD2-CE2 3.63Å; L263-F287 HydrophobicContact CD2-CZ 3.81Å
264	D	96.8	Very high	96.8	Very high	136 Å²	136	51.3 Å²	51.3	73%	0.727	27%	0.27	S	S	*	.	S	Bend	trans	-107.2	-11.2	177.5	-69.4	-38.1	0	0	0	111.7	D285	D264-D285 PolarHBondContact N-OD2 3.1Å
265	W	97.2	Very high	96.8	Very high	150 Å²	150	53.2 Å²	53.2	57%	0.568	28%	0.28	S	S	*	.	S	Bend	trans	-120.5	165	179.3	-72.7	96.2	0	0	0	112.6	A244 V267 S283 E284 D285	A244-W265 WeakPolarHBondContact CA-O 3.42Å; A244-W265 VanDerWaalsContact CB-O 3.27Å; A244-W265 WeakPolarHBondContact CB-O 3.34Å; W265-V267 PolarHBondContact O-N 2.68Å; W265-S283 WeakPolarHBondContact CB-OG 3.45Å; W265-S283 PolarHBondContact O-OG 2.85Å; W265-E284 HydrophobicContact CB-CB 3.82Å; W265-E284 HydrophobicContact CB-CG 4.34Å; W265-E284 HydrophobicContact CD2-CB 4.25Å; W265-E284 HydrophobicContact CG-CB 3.87Å; W265-D285 VanDerWaalsContact CD1-OD1 3.32Å; W265-D285 PolarHBondContact N-OD2 3.12Å
266	P	97.6	Very high	96.9	Very high	33 Å²	33	50 Å²	50	21%	0.214	26%	0.262	C	S	.	.			trans	-47.4	128.5	175.8	-34.4	40.2	0	0	0	113.8	I226 A242 R268 S283	I226-P266 HydrophobicContact CD1-CB 3.86Å; A242-P266 HydrophobicContact CB-CB 4.32Å; A242-P266 HydrophobicContact CB-CG 4.39Å; P266-R268 PolarHBondContact O-N 3.39Å; P266-S283 WeakPolarHBondContact O-CB 3.19Å; P266-S283 PolarHBondContact O-OG 3.04Å
267	V	97.9	Very high	96.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.			trans	-68.3	120.7	179.2	-172.9	0	0	0	0	109.4	I226 S241 V246 L263 W265 L270	I226-V267 WeakPolarHBondContact CD1-O 3.38Å; S241-V267 PolarHBondContact O-N 3.14Å; V246-V267 HydrophobicContact CG2-CB 4.48Å; V246-V267 HydrophobicContact CG2-CG1 3.93Å; V246-V267 HydrophobicContact CG2-CG2 3.79Å; L263-V267 HydrophobicContact CD1-CB 4.48Å; L263-V267 HydrophobicContact CD1-CG1 4.27Å; L263-V267 HydrophobicContact CD1-CG2 3.84Å; W265-V267 PolarHBondContact O-N 2.68Å; V267-L270 HydrophobicContact CG1-CD2 4Å; V267-L270 HydrophobicContact CG1-CG 4.23Å
268	R	95.9	Very high	96.8	Very high	101 Å²	101	49.3 Å²	49.3	38%	0.381	25%	0.248	S	C	.	.			trans	-90.5	-37.9	-177.4	-68.4	-58.5	-169	-170.6	-0.4	113	P266 A282 E284	P266-R268 PolarHBondContact O-N 3.39Å; R268-A282 PolarHBondContact N-O 3.28Å; R268-E284 IonicContact CZ-OE1 3.57Å; R268-E284 IonicContact NE-OE1 3.54Å; R268-E284 PolarHBondContact NE-OE1 2.7Å; R268-E284 IonicContact NH2-OE1 2.81Å; R268-E284 PolarHBondContact NH2-OE1 2.92Å
269	T	97.4	Very high	96.9	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.098	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	150	-171.7	-173.1	0	0	0	0	111.7	S281 A282 F309 V311	T269-S281 WeakPolarHBondContact O-CA 3.42Å; T269-A282 HydrophobicContact CG2-CB 3.74Å; T269-A282 PolarHBondContact N-O 2.87Å; T269-A282 PolarHBondContact O-N 3.22Å; T269-A282 VanDerWaalsContact O-N 3.16Å; T269-F309 WeakPolarHBondContact CB-O 3.36Å; T269-V311 HydrophobicContact CG2-CB 4.22Å; T269-V311 HydrophobicContact CG2-CG1 3.86Å; T269-V311 HydrophobicContact CG2-CG2 3.72Å; T269-V311 PolarHBondContact OG1-N 2.93Å
270	L	98.3	Very high	97	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.052	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	140.7	179.2	-68	175.7	0	0	0	109.8	K229 A238 V246 V267 L279 A280	K229-L270 HydrophobicContact CB-CB 4.26Å; A238-L270 HydrophobicContact CB-CD1 4.03Å; V246-L270 HydrophobicContact CB-CD2 4.43Å; V246-L270 HydrophobicContact CG1-CD1 4.09Å; V246-L270 HydrophobicContact CG1-CD2 3.7Å; V246-L270 HydrophobicContact CG2-CD2 3.79Å; V267-L270 HydrophobicContact CG1-CD2 4Å; V267-L270 HydrophobicContact CG1-CG 4.23Å; L270-L279 HydrophobicContact CB-CD1 4.43Å; L270-L279 HydrophobicContact CD2-CD1 4.28Å; L270-A280 WeakPolarHBondContact CA-O 3.5Å
271	S	98.4	Very high	97	Very high	13 Å²	13	42.9 Å²	42.9	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	129	170.6	-164.8	0	0	0	0	110.9	A280 V311 W313	S271-A280 PolarHBondContact N-O 2.81Å; S271-A280 PolarHBondContact O-N 2.89Å; S271-V311 WeakPolarHBondContact CB-O 3.21Å; S271-W313 PolarHBondContact O-NE1 2.92Å; S271-W313 PolarHBondContact OG-N 2.95Å
272	F	98.4	Very high	97.1	Very high	10 Å²	10	38.5 Å²	38.5	4%	0.044	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	143.6	170.8	-79.9	-79.8	0	0	0	111.1	K229 D231 A238 L248 M278 L279 V293 W313	K229-F272 HydrophobicContact CG-CD2 4.37Å; K229-F272 VanDerWaalsContact O-CE2 3.31Å; K229-F272 WeakPolarHBondContact O-CE2 3.13Å; D231-F272 HydrophobicContact CB-CB 4.27Å; D231-F272 HydrophobicContact CB-CD1 3.87Å; D231-F272 HydrophobicContact CB-CD2 3.83Å; D231-F272 HydrophobicContact CB-CE1 4.09Å; D231-F272 HydrophobicContact CB-CE2 4.06Å; D231-F272 HydrophobicContact CB-CG 3.73Å; D231-F272 HydrophobicContact CB-CZ 4.17Å; A238-F272 HydrophobicContact CB-CE2 3.68Å; A238-F272 HydrophobicContact CB-CZ 3.68Å; L248-F272 HydrophobicContact CD1-CE1 4.01Å; L248-F272 HydrophobicContact CD1-CZ 3.54Å; F272-M278 WeakPolarHBondContact CA-O 3.41Å; F272-L279 HydrophobicContact CD1-CB 4.28Å; F272-L279 HydrophobicContact CD1-CD1 4.07Å; F272-L279 HydrophobicContact CD2-CD1 4.08Å; F272-L279 HydrophobicContact CE1-CB 4.15Å; F272-L279 HydrophobicContact CE1-CD1 4.02Å; F272-L279 HydrophobicContact CE1-CD2 4.47Å; F272-L279 HydrophobicContact CE1-CG 4.45Å; F272-L279 HydrophobicContact CE2-CD1 4.01Å; F272-L279 HydrophobicContact CG-CD1 4.11Å; F272-L279 HydrophobicContact CZ-CD1 3.99Å; F272-L279 HydrophobicContact CZ-CD2 4.38Å; F272-V293 HydrophobicContact CD1-CG2 3.97Å; F272-V293 HydrophobicContact CE1-CG1 4.34Å; F272-V293 HydrophobicContact CE1-CG2 3.65Å; F272-W313 WeakPolarHBondContact O-CB 3.45Å
273	S	97.4	Very high	97.1	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.028	17%	0.172	C	C	.	.			trans	-65	157.1	166.1	59.1	0	0	0	0	110.8	D275 G276 K277 M278	S273-D275 WeakPolarHBondContact CB-OD1 3.44Å; S273-D275 PolarHBondContact O-N 2.79Å; S273-D275 PolarHBondContact OG-OD1 2.83Å; S273-G276 PolarHBondContact O-N 2.85Å; S273-K277 PolarHBondContact OG-N 3.18Å; S273-M278 PolarHBondContact N-O 2.83Å; S273-M278 WeakPolarHBondContact OG-CA 3.13Å; S273-M278 WeakPolarHBondContact OG-CB 3.36Å; S273-M278 PolarHBondContact OG-N 3.24Å; S273-M278 PolarHBondContact OG-O 2.76Å
274	N	93.4	Very high	97	Very high	80 Å²	80	37.2 Å²	37.2	43%	0.428	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.6	-176.1	-169.5	72.7	0	0	0	114.2	P315	N274-P315 VanDerWaalsContact CB-C 3.47Å; N274-P315 PolarHBondContact ND2-O 3.29Å; N274-P315 PolarHBondContact OD1-O 3.24Å
275	D	94.3	Very high	96.6	Very high	70 Å²	70	31.4 Å²	31.4	37%	0.374	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-2.1	176.3	64.9	-8.9	0	0	0	113.3	Y32 S273 K277	Y32-D275 PolarHBondContact OH-OD2 2.93Å; S273-D275 WeakPolarHBondContact CB-OD1 3.44Å; S273-D275 PolarHBondContact O-N 2.79Å; S273-D275 PolarHBondContact OG-OD1 2.83Å; D275-K277 HydrophobicContact CB-CG 4.48Å; D275-K277 PolarHBondContact O-N 3.17Å; D275-K277 PolarHBondContact OD1-N 2.91Å; D275-K277 VanDerWaalsContact OD1-N 3.16Å
276	G	95.9	Very high	96.5	Very high	8 Å²	8	28.9 Å²	28.9	8%	0.082	14%	0.143	C	C	.	.	S	Bend	trans	69.9	6	-178.1	0	0	0	0	0	114.4	S273 V293	S273-G276 PolarHBondContact O-N 2.85Å; G276-V293 WeakPolarHBondContact O-CG2 3.3Å
277	K	96.6	Very high	96.4	Very high	98 Å²	98	28.8 Å²	28.8	43%	0.426	14%	0.139	S	C	.	.	S	Bend	trans	-95.8	-16.1	-172.8	-67.7	-178.4	-176.9	177.7	0	114.2	Y32 S273 D275 E292 V293	Y32-K277 HydrophobicContact CD2-CD 4.02Å; Y32-K277 HydrophobicContact CE1-CB 3.76Å; Y32-K277 HydrophobicContact CE1-CD 4.21Å; Y32-K277 HydrophobicContact CE2-CB 4.3Å; Y32-K277 HydrophobicContact CE2-CD 3.58Å; Y32-K277 HydrophobicContact CG-CD 4.48Å; Y32-K277 VanDerWaalsContact OH-CB 3.25Å; Y32-K277 WeakPolarHBondContact OH-CB 3.3Å; S273-K277 PolarHBondContact OG-N 3.18Å; D275-K277 HydrophobicContact CB-CG 4.48Å; D275-K277 PolarHBondContact O-N 3.17Å; D275-K277 PolarHBondContact OD1-N 2.91Å; D275-K277 VanDerWaalsContact OD1-N 3.16Å; K277-E292 WeakPolarHBondContact O-CA 3.29Å; K277-V293 WeakPolarHBondContact O-CG2 3.5Å; K277-V293 PolarHBondContact O-N 3.27Å
278	M	97.8	Very high	96.4	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.02	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.9	175.6	-52.7	-176.6	-75.8	0	0	111.7	Y32 M36 F40 F272 S273 I290 A291 L299 W313 P318	Y32-M278 HydrophobicContact CE1-CG 4.27Å; Y32-M278 WeakPolarHBondContact OH-CG 3.41Å; M36-M278 HydrophobicContact CE-CE 3.91Å; M36-M278 HydrophobicContact CE-SD 3.74Å; M36-M278 HydrophobicContact CG-SD 4.28Å; M36-M278 HydrophobicContact SD-SD 4.41Å; F40-M278 HydrophobicContact CE2-SD 3.77Å; F40-M278 HydrophobicContact CZ-CE 4.15Å; F40-M278 HydrophobicContact CZ-SD 3.69Å; F272-M278 WeakPolarHBondContact CA-O 3.41Å; S273-M278 PolarHBondContact N-O 2.83Å; S273-M278 WeakPolarHBondContact OG-CA 3.13Å; S273-M278 WeakPolarHBondContact OG-CB 3.36Å; S273-M278 PolarHBondContact OG-N 3.24Å; S273-M278 PolarHBondContact OG-O 2.76Å; M278-I290 HydrophobicContact CB-CG2 4.24Å; M278-I290 HydrophobicContact SD-CG2 4.13Å; M278-A291 CarbonylContact C-O 3.51Å; M278-A291 WeakPolarHBondContact CA-O 3.32Å; M278-L299 HydrophobicContact CB-CD1 4.43Å; M278-L299 HydrophobicContact CG-CD1 3.58Å; M278-L299 HydrophobicContact SD-CD1 3.75Å; M278-W313 HydrophobicContact CB-CZ2 4.46Å; M278-W313 HydrophobicContact CE-CH2 3.91Å; M278-W313 HydrophobicContact CE-CZ2 4.35Å; M278-W313 HydrophobicContact CE-CZ3 4.11Å; M278-W313 HydrophobicContact SD-CH2 4.42Å; M278-P318 HydrophobicContact CE-CB 4.37Å
279	L	98.4	Very high	96.5	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.3	172.8	179	60.8	0	0	0	108.5	A238 V246 F260 L270 F272 I290 A291 V293	A238-L279 HydrophobicContact CB-CD1 4.28Å; A238-L279 HydrophobicContact CB-CD2 3.83Å; V246-L279 HydrophobicContact CG1-CD2 3.78Å; F260-L279 HydrophobicContact CD2-CD2 4.19Å; F260-L279 HydrophobicContact CE2-CD2 3.73Å; F260-L279 HydrophobicContact CZ-CD2 4.31Å; L270-L279 HydrophobicContact CB-CD1 4.43Å; L270-L279 HydrophobicContact CD2-CD1 4.28Å; F272-L279 HydrophobicContact CD1-CB 4.28Å; F272-L279 HydrophobicContact CD1-CD1 4.07Å; F272-L279 HydrophobicContact CD2-CD1 4.08Å; F272-L279 HydrophobicContact CE1-CB 4.15Å; F272-L279 HydrophobicContact CE1-CD1 4.02Å; F272-L279 HydrophobicContact CE1-CD2 4.47Å; F272-L279 HydrophobicContact CE1-CG 4.45Å; F272-L279 HydrophobicContact CE2-CD1 4.01Å; F272-L279 HydrophobicContact CG-CD1 4.11Å; F272-L279 HydrophobicContact CZ-CD1 3.99Å; F272-L279 HydrophobicContact CZ-CD2 4.38Å; L279-I290 WeakPolarHBondContact O-CA 3.2Å; L279-A291 HydrophobicContact CB-CB 4.48Å; L279-A291 PolarHBondContact N-O 2.91Å; L279-A291 PolarHBondContact O-N 3.45Å; L279-V293 HydrophobicContact CB-CG2 4.08Å
280	A	98.6	Very high	96.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.2	168.7	0	0	0	0	0	109.1	L270 S271 I288 D289 I290 V311 W313 L320	L270-A280 WeakPolarHBondContact CA-O 3.5Å; S271-A280 PolarHBondContact N-O 2.81Å; S271-A280 PolarHBondContact O-N 2.89Å; A280-I288 HydrophobicContact CB-CG2 4.13Å; A280-D289 CarbonylContact C-O 3.55Å; A280-D289 VanDerWaalsContact CA-O 3.29Å; A280-D289 WeakPolarHBondContact CA-O 3.12Å; A280-I290 HydrophobicContact CB-CG1 4.39Å; A280-V311 HydrophobicContact CB-CG2 4.3Å; A280-W313 HydrophobicContact CB-CZ2 4.1Å; A280-W313 VanDerWaalsContact CB-NE1 3.35Å; A280-L320 HydrophobicContact CB-CD1 4.06Å; A280-L320 HydrophobicContact CB-CD2 4.15Å
281	S	98.6	Very high	96.5	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.4	174.8	57.4	0	0	0	0	110.4	T269 D289	T269-S281 WeakPolarHBondContact O-CA 3.42Å; S281-D289 PolarHBondContact N-O 3.27Å; S281-D289 PolarHBondContact O-N 3.36Å
282	A	97.8	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.4	179.1	0	0	0	0	0	112.1	R268 T269 I288 T308 V311	R268-A282 PolarHBondContact N-O 3.28Å; T269-A282 HydrophobicContact CG2-CB 3.74Å; T269-A282 PolarHBondContact N-O 2.87Å; T269-A282 PolarHBondContact O-N 3.22Å; T269-A282 VanDerWaalsContact O-N 3.16Å; A282-I288 HydrophobicContact CB-CB 4.45Å; A282-I288 HydrophobicContact CB-CG1 3.94Å; A282-I288 HydrophobicContact CB-CG2 4.3Å; A282-T308 HydrophobicContact CB-CG2 3.74Å; A282-V311 HydrophobicContact CB-CG1 4.04Å
283	S	95.9	Very high	96.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.			trans	-145.7	-165.4	-173.5	-173.2	0	0	0	0	110.8	W265 P266 D285 T308	W265-S283 WeakPolarHBondContact CB-OG 3.45Å; W265-S283 PolarHBondContact O-OG 2.85Å; P266-S283 WeakPolarHBondContact O-CB 3.19Å; P266-S283 PolarHBondContact O-OG 3.04Å; S283-D285 PolarHBondContact O-N 3.46Å; S283-T308 PolarHBondContact O-N 3.32Å; S283-T308 VanDerWaalsContact O-N 3.16Å
284	E	93.4	Very high	96.3	Very high	44 Å²	44	26.2 Å²	26.2	21%	0.206	13%	0.129	C	C	.	.	S	Bend	trans	-67.8	-13.7	161.6	-52.2	-61.7	157.9	0	0	111.8	W265 R268 H286 P307	W265-E284 HydrophobicContact CB-CB 3.82Å; W265-E284 HydrophobicContact CB-CG 4.34Å; W265-E284 HydrophobicContact CD2-CB 4.25Å; W265-E284 HydrophobicContact CG-CB 3.87Å; R268-E284 IonicContact CZ-OE1 3.57Å; R268-E284 IonicContact NE-OE1 3.54Å; R268-E284 PolarHBondContact NE-OE1 2.7Å; R268-E284 IonicContact NH2-OE1 2.81Å; R268-E284 PolarHBondContact NH2-OE1 2.92Å; E284-H286 PolarHBondContact O-CD2 2.85Å; E284-H286 PolarHBondContact O-N 3.36Å; E284-P307 WeakPolarHBondContact OE2-CB 3.4Å; E284-P307 WeakPolarHBondContact OE2-CG 3.34Å
285	D	89.6	Confident	96.3	Very high	14 Å²	14	25.1 Å²	25.1	8%	0.075	12%	0.124	C	C	.	.	S	Bend	trans	-55.1	125.9	160.9	-67.7	-51.9	0	0	0	109.4	L263 D264 W265 S283 F287	L263-D285 VanDerWaalsContact CA-OD2 3.3Å; L263-D285 WeakPolarHBondContact CA-OD2 3.34Å; L263-D285 VanDerWaalsContact CB-OD2 3.32Å; L263-D285 WeakPolarHBondContact CB-OD2 3.02Å; L263-D285 HydrophobicContact CD2-CB 4.03Å; L263-D285 WeakPolarHBondContact CD2-OD2 3.37Å; D264-D285 PolarHBondContact N-OD2 3.1Å; W265-D285 VanDerWaalsContact CD1-OD1 3.32Å; W265-D285 PolarHBondContact N-OD2 3.12Å; S283-D285 PolarHBondContact O-N 3.46Å; D285-F287 HydrophobicContact CB-CD1 3.8Å; D285-F287 HydrophobicContact CB-CE1 3.51Å; D285-F287 HydrophobicContact CB-CG 4.47Å; D285-F287 HydrophobicContact CB-CZ 3.95Å; D285-F287 PolarHBondContact O-N 2.98Å
286	H	93.8	Very high	96.3	Very high	98 Å²	98	22.6 Å²	22.6	45%	0.454	12%	0.116	S	C	.	.	S	Bend	trans	-73	35.3	179.5	-63.1	178.9	0	0	0	112.3	E284 C304	E284-H286 PolarHBondContact O-CD2 2.85Å; E284-H286 PolarHBondContact O-N 3.36Å; H286-C304 WeakPolarHBondContact CB-O 3.41Å; H286-C304 WeakPolarHBondContact O-CA 3.18Å; H286-C304 WeakPolarHBondContact O-CB 3.13Å; H286-C304 PolarHBondContact O-N 3.28Å; H286-C304 VanDerWaalsContact O-O 3.08Å
287	F	95.8	Very high	96.3	Very high	30 Å²	30	25.7 Å²	25.7	13%	0.132	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	157.3	173.5	66.8	-92.6	0	0	0	111.1	R262 L263 D285 D289 E301 V302	R262-F287 WeakPolarHBondContact O-CZ 3.41Å; L263-F287 HydrophobicContact CD2-CD2 4.44Å; L263-F287 HydrophobicContact CD2-CE2 3.63Å; L263-F287 HydrophobicContact CD2-CZ 3.81Å; D285-F287 HydrophobicContact CB-CD1 3.8Å; D285-F287 HydrophobicContact CB-CE1 3.51Å; D285-F287 HydrophobicContact CB-CG 4.47Å; D285-F287 HydrophobicContact CB-CZ 3.95Å; D285-F287 PolarHBondContact O-N 2.98Å; F287-D289 HydrophobicContact CE2-CB 4.24Å; F287-E301 HydrophobicContact CB-CG 3.79Å; F287-E301 HydrophobicContact CD2-CG 3.77Å; F287-E301 HydrophobicContact CG-CG 3.95Å; F287-V302 CarbonylContact C-O 3.59Å; F287-V302 WeakPolarHBondContact CA-O 3.37Å
288	I	98.1	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	121.9	169.2	-53.2	166.3	0	0	0	107.4	A280 A282 E301 V302 T308 V311 L320 Y322	A280-I288 HydrophobicContact CB-CG2 4.13Å; A282-I288 HydrophobicContact CB-CB 4.45Å; A282-I288 HydrophobicContact CB-CG1 3.94Å; A282-I288 HydrophobicContact CB-CG2 4.3Å; I288-E301 WeakPolarHBondContact O-CA 3.28Å; I288-V302 HydrophobicContact CB-CB 4.11Å; I288-V302 HydrophobicContact CD1-CB 4.45Å; I288-V302 PolarHBondContact N-O 2.87Å; I288-V302 PolarHBondContact O-N 3.24Å; I288-T308 HydrophobicContact CD1-CG2 3.99Å; I288-T308 HydrophobicContact CG1-CG2 4.09Å; I288-V311 HydrophobicContact CD1-CG1 3.95Å; I288-V311 HydrophobicContact CG1-CG1 4.36Å; I288-V311 HydrophobicContact CG2-CG1 4.33Å; I288-L320 HydrophobicContact CD1-CD2 4.19Å; I288-L320 HydrophobicContact CG2-CD2 4.07Å; I288-Y322 HydrophobicContact CD1-CD1 4.06Å; I288-Y322 HydrophobicContact CD1-CD2 3.59Å; I288-Y322 HydrophobicContact CD1-CE1 4.46Å; I288-Y322 HydrophobicContact CD1-CE2 3.98Å; I288-Y322 HydrophobicContact CD1-CG 3.61Å
289	D	98.3	Very high	96.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.4	172.2	-176.4	67	0	0	0	109.5	R262 A280 S281 F287 K298	R262-D289 WeakPolarHBondContact CD-OD1 3.48Å; R262-D289 IonicContact CZ-OD1 3.24Å; R262-D289 IonicContact CZ-OD2 3.89Å; R262-D289 VanDerWaalsContact CZ-OD2 3.24Å; R262-D289 IonicContact NE-OD1 2.83Å; R262-D289 PolarHBondContact NE-OD1 2.93Å; R262-D289 IonicContact NE-OD2 3.86Å; R262-D289 PolarHBondContact NE-OD2 2.92Å; R262-D289 IonicContact NH2-OD1 2.77Å; R262-D289 IonicContact NH2-OD2 3.77Å; R262-D289 PolarHBondContact NH2-OD2 3.06Å; A280-D289 CarbonylContact C-O 3.55Å; A280-D289 VanDerWaalsContact CA-O 3.29Å; A280-D289 WeakPolarHBondContact CA-O 3.12Å; S281-D289 PolarHBondContact N-O 3.27Å; S281-D289 PolarHBondContact O-N 3.36Å; F287-D289 HydrophobicContact CE2-CB 4.24Å; D289-K298 WeakPolarHBondContact OD1-CD 3.18Å; D289-K298 WeakPolarHBondContact OD1-CG 3.4Å
290	I	98.3	Very high	96.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	113.7	171.2	-59.7	172.4	0	0	0	107.8	F40 M278 L279 A280 L299 W300 V302 W313 L320 F343	F40-I290 HydrophobicContact CE1-CD1 4.48Å; F40-I290 HydrophobicContact CE2-CG2 4.21Å; F40-I290 HydrophobicContact CZ-CD1 4.3Å; F40-I290 HydrophobicContact CZ-CG2 4.31Å; M278-I290 HydrophobicContact CB-CG2 4.24Å; M278-I290 HydrophobicContact SD-CG2 4.13Å; L279-I290 WeakPolarHBondContact O-CA 3.2Å; A280-I290 HydrophobicContact CB-CG1 4.39Å; I290-L299 HydrophobicContact CG2-CB 4.38Å; I290-L299 HydrophobicContact CG2-CD1 4.49Å; I290-L299 WeakPolarHBondContact O-CA 3.45Å; I290-L299 WeakPolarHBondContact O-CB 3.38Å; I290-L299 PolarHBondContact O-N 3.47Å; I290-W300 HydrophobicContact CB-CB 4.28Å; I290-W300 HydrophobicContact CD1-CB 4.44Å; I290-W300 PolarHBondContact N-O 3.39Å; I290-W300 PolarHBondContact O-N 2.82Å; I290-W300 VanDerWaalsContact O-N 3.13Å; I290-V302 HydrophobicContact CD1-CG2 3.81Å; I290-W313 HydrophobicContact CD1-CH2 3.98Å; I290-W313 HydrophobicContact CD1-CZ2 4.08Å; I290-W313 HydrophobicContact CG1-CZ2 4.22Å; I290-W313 HydrophobicContact CG2-CH2 4.31Å; I290-W313 HydrophobicContact CG2-CZ2 3.96Å; I290-L320 HydrophobicContact CD1-CD2 4.31Å; I290-F343 HydrophobicContact CD1-CD1 4.41Å; I290-F343 HydrophobicContact CD1-CE1 3.98Å
291	A	98.1	Very high	96.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	148.4	-176.5	0	0	0	0	0	112.1	F260 M278 L279 E297	F260-A291 HydrophobicContact CD1-CB 3.8Å; F260-A291 HydrophobicContact CE1-CB 3.49Å; F260-A291 VanDerWaalsContact CE1-CB 3.49Å; F260-A291 HydrophobicContact CZ-CB 4.2Å; M278-A291 CarbonylContact C-O 3.51Å; M278-A291 WeakPolarHBondContact CA-O 3.32Å; L279-A291 HydrophobicContact CB-CB 4.48Å; L279-A291 PolarHBondContact N-O 2.91Å; L279-A291 PolarHBondContact O-N 3.45Å; A291-E297 CarbonylContact C-O 3.58Å; A291-E297 WeakPolarHBondContact CA-O 3.43Å
292	E	97.3	Very high	96	Very high	13 Å²	13	30.3 Å²	30.3	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	127.8	161.1	-176.5	-179.5	-164.9	0	0	109.4	S30 Y32 K277 T295 G296 E297 L299	S30-E292 PolarHBondContact OG-OE1 2.99Å; S30-E292 VanDerWaalsContact OG-OE1 3.11Å; Y32-E292 HydrophobicContact CD1-CG 4.14Å; Y32-E292 WeakPolarHBondContact CD1-OE1 3.26Å; Y32-E292 HydrophobicContact CE1-CG 4.3Å; K277-E292 WeakPolarHBondContact O-CA 3.29Å; E292-T295 WeakPolarHBondContact CB-OG1 3.39Å; E292-T295 VanDerWaalsContact CD-CG2 3.5Å; E292-T295 VanDerWaalsContact CD-OG1 3.26Å; E292-T295 HydrophobicContact CG-CG2 4.33Å; E292-T295 WeakPolarHBondContact CG-OG1 3.28Å; E292-T295 WeakPolarHBondContact OE2-CB 3.37Å; E292-T295 WeakPolarHBondContact OE2-CG2 3.47Å; E292-T295 PolarHBondContact OE2-OG1 3.29Å; E292-G296 WeakPolarHBondContact O-CA 3.35Å; E292-G296 PolarHBondContact O-N 2.65Å; E292-E297 PolarHBondContact N-O 2.99Å; E292-L299 HydrophobicContact CB-CD1 3.84Å; E292-L299 HydrophobicContact CB-CD2 4.05Å; E292-L299 HydrophobicContact CB-CG 3.83Å
293	V	96.8	Very high	95.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-44.7	-173.2	173.5	0	0	0	0	111.6	Y236 L248 R258 F272 G276 K277 L279	Y236-V293 HydrophobicContact CD2-CG1 3.56Å; Y236-V293 HydrophobicContact CE2-CG1 3.68Å; Y236-V293 HydrophobicContact CG-CG1 4.47Å; L248-V293 HydrophobicContact CD1-CG1 4.33Å; L248-V293 HydrophobicContact CD2-CG1 3.71Å; R258-V293 WeakPolarHBondContact CD-O 3.3Å; R258-V293 PolarHBondContact NE-O 3.39Å; R258-V293 VanDerWaalsContact NE-O 3.17Å; R258-V293 PolarHBondContact NH1-O 2.99Å; F272-V293 HydrophobicContact CD1-CG2 3.97Å; F272-V293 HydrophobicContact CE1-CG1 4.34Å; F272-V293 HydrophobicContact CE1-CG2 3.65Å; G276-V293 WeakPolarHBondContact O-CG2 3.3Å; K277-V293 WeakPolarHBondContact O-CG2 3.5Å; K277-V293 PolarHBondContact O-N 3.27Å; L279-V293 HydrophobicContact CB-CG2 4.08Å
294	E	94.7	Very high	95.6	Very high	86 Å²	86	36.9 Å²	36.9	40%	0.402	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-28.8	-174.3	-69.9	-64.2	171.5	0	0	113.8	K235 Y236 R258	K235-E294 IonicContact NZ-OE1 2.71Å; K235-E294 PolarHBondContact NZ-OE1 3.17Å; K235-E294 IonicContact NZ-OE2 2.73Å; Y236-E294 WeakPolarHBondContact CE2-OE1 3.23Å; Y236-E294 PolarHBondContact OH-OE1 3.29Å; Y236-E294 PolarHBondContact OH-OE2 2.92Å; Y236-E294 VanDerWaalsContact OH-OE2 3.11Å; R258-E294 PolarHBondContact NH1-O 3.27Å; R258-E294 PolarHBondContact NH2-O 3.1Å
295	T	94.3	Very high	95.3	Very high	56 Å²	56	39.4 Å²	39.4	34%	0.344	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-25.9	-179	63.7	0	0	0	0	112.7	R258 E292 E297	R258-T295 PolarHBondContact NH1-O 2.77Å; E292-T295 WeakPolarHBondContact CB-OG1 3.39Å; E292-T295 VanDerWaalsContact CD-CG2 3.5Å; E292-T295 VanDerWaalsContact CD-OG1 3.26Å; E292-T295 HydrophobicContact CG-CG2 4.33Å; E292-T295 WeakPolarHBondContact CG-OG1 3.28Å; E292-T295 WeakPolarHBondContact OE2-CB 3.37Å; E292-T295 WeakPolarHBondContact OE2-CG2 3.47Å; E292-T295 PolarHBondContact OE2-OG1 3.29Å; T295-E297 PolarHBondContact OG1-N 2.98Å
296	G	94.8	Very high	95.3	Very high	18 Å²	18	39.1 Å²	39.1	19%	0.186	19%	0.193	C	C	.	.			trans	82.9	-4.2	-172.2	0	0	0	0	0	113.1	R262 E292	R262-G296 PolarHBondContact NH1-O 3.19Å; E292-G296 WeakPolarHBondContact O-CA 3.35Å; E292-G296 PolarHBondContact O-N 2.65Å
297	E	95.3	Very high	95.3	Very high	72 Å²	72	35.3 Å²	35.3	34%	0.336	18%	0.177	S	C	.	.			trans	-76.9	148.8	-172.8	-64.5	-173.7	168.5	0	0	111.5	Y33 A291 E292 T295 L299	Y33-E297 HydrophobicContact CD2-CB 4.21Å; Y33-E297 HydrophobicContact CE2-CB 3.92Å; A291-E297 CarbonylContact C-O 3.58Å; A291-E297 WeakPolarHBondContact CA-O 3.43Å; E292-E297 PolarHBondContact N-O 2.99Å; T295-E297 PolarHBondContact OG1-N 2.98Å; E297-L299 PolarHBondContact O-N 3.14Å
298	K	96.5	Very high	95.3	Very high	83 Å²	83	33.9 Å²	33.9	36%	0.361	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.2	173.2	-178.6	164.3	71.6	176	0	108.8	Y33 D289 E301	Y33-K298 WeakPolarHBondContact CE2-O 3.37Å; D289-K298 WeakPolarHBondContact OD1-CD 3.18Å; D289-K298 WeakPolarHBondContact OD1-CG 3.4Å; K298-E301 HydrophobicContact CD-CB 4.47Å; K298-E301 IonicContact NZ-OE2 2.92Å; K298-E301 PolarHBondContact NZ-OE2 3.19Å
299	L	96.1	Very high	95	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-48.6	173.5	-69.5	171.5	0	0	0	110.6	Y32 Y33 M36 Q37 M278 I290 E292 E297	Y32-L299 HydrophobicContact CE1-CD1 4.41Å; Y33-L299 HydrophobicContact CD2-CD2 3.43Å; Y33-L299 VanDerWaalsContact CD2-CD2 3.43Å; Y33-L299 HydrophobicContact CE2-CD2 4.06Å; Y33-L299 HydrophobicContact CG-CD2 3.95Å; M36-L299 HydrophobicContact CB-CD1 4.39Å; M36-L299 HydrophobicContact CB-CD2 4.19Å; Q37-L299 PolarHBondContact NE2-O 3.08Å; M278-L299 HydrophobicContact CB-CD1 4.43Å; M278-L299 HydrophobicContact CG-CD1 3.58Å; M278-L299 HydrophobicContact SD-CD1 3.75Å; I290-L299 HydrophobicContact CG2-CB 4.38Å; I290-L299 HydrophobicContact CG2-CD1 4.49Å; I290-L299 WeakPolarHBondContact O-CA 3.45Å; I290-L299 WeakPolarHBondContact O-CB 3.38Å; I290-L299 PolarHBondContact O-N 3.47Å; E292-L299 HydrophobicContact CB-CD1 3.84Å; E292-L299 HydrophobicContact CB-CD2 4.05Å; E292-L299 HydrophobicContact CB-CG 3.83Å; E297-L299 PolarHBondContact O-N 3.14Å
300	W	97.3	Very high	95	Very high	50 Å²	50	36.2 Å²	36.2	19%	0.189	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163.9	-174	-158	-97.5	0	0	0	112.2	F40 R41 N44 I290 F343	F40-W300 HydrophobicContact CB-CB 4.3Å; F40-W300 HydrophobicContact CB-CD2 3.45Å; F40-W300 VanDerWaalsContact CB-CD2 3.45Å; F40-W300 HydrophobicContact CB-CE3 3.51Å; F40-W300 HydrophobicContact CB-CG 3.79Å; F40-W300 HydrophobicContact CB-CH2 4.45Å; F40-W300 HydrophobicContact CB-CZ2 4.42Å; F40-W300 HydrophobicContact CB-CZ3 4.02Å; F40-W300 HydrophobicContact CD2-CB 3.75Å; F40-W300 HydrophobicContact CD2-CG 4.17Å; F40-W300 HydrophobicContact CE2-CB 4.32Å; F40-W300 HydrophobicContact CG-CB 4.12Å; F40-W300 HydrophobicContact CG-CD2 4.22Å; F40-W300 HydrophobicContact CG-CE3 4.47Å; F40-W300 HydrophobicContact CG-CG 4.04Å; R41-W300 HydrophobicContact CB-CH2 3.94Å; R41-W300 HydrophobicContact CB-CZ3 4.11Å; R41-W300 HydrophobicContact CG-CH2 4.5Å; N44-W300 HydrophobicContact CB-CZ2 3.94Å; I290-W300 HydrophobicContact CB-CB 4.28Å; I290-W300 HydrophobicContact CD1-CB 4.44Å; I290-W300 PolarHBondContact N-O 3.39Å; I290-W300 PolarHBondContact O-N 2.82Å; I290-W300 VanDerWaalsContact O-N 3.13Å; W300-F343 AromaticContact CD1-CZ 3.58Å; W300-F343 HydrophobicContact CG-CZ 4.48Å; W300-F343 AromaticContact NE1-CZ 3.61Å
301	E	96.4	Very high	94.9	Very high	64 Å²	64	36.6 Å²	36.6	30%	0.299	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121	175.1	-174.2	178.3	95.1	0	0	108.6	F287 I288 K298 Q303	F287-E301 HydrophobicContact CB-CG 3.79Å; F287-E301 HydrophobicContact CD2-CG 3.77Å; F287-E301 HydrophobicContact CG-CG 3.95Å; I288-E301 WeakPolarHBondContact O-CA 3.28Å; K298-E301 HydrophobicContact CD-CB 4.47Å; K298-E301 IonicContact NZ-OE2 2.92Å; K298-E301 PolarHBondContact NZ-OE2 3.19Å; E301-Q303 PolarHBondContact OE1-NE2 3.07Å
302	V	96.4	Very high	95	Very high	5 Å²	5	37 Å²	37	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.7	177.3	-171.8	0	0	0	0	108.1	F287 I288 I290 C304 F343	F287-V302 CarbonylContact C-O 3.59Å; F287-V302 WeakPolarHBondContact CA-O 3.37Å; I288-V302 HydrophobicContact CB-CB 4.11Å; I288-V302 HydrophobicContact CD1-CB 4.45Å; I288-V302 PolarHBondContact N-O 2.87Å; I288-V302 PolarHBondContact O-N 3.24Å; I290-V302 HydrophobicContact CD1-CG2 3.81Å; V302-C304 PolarHBondContact O-SG 2.7Å; V302-F343 HydrophobicContact CB-CD2 4.41Å; V302-F343 HydrophobicContact CG1-CB 4.32Å; V302-F343 HydrophobicContact CG1-CD2 3.65Å; V302-F343 HydrophobicContact CG1-CE2 4.1Å; V302-F343 HydrophobicContact CG1-CG 3.95Å; V302-F343 HydrophobicContact CG2-CD1 3.64Å; V302-F343 HydrophobicContact CG2-CD2 3.88Å; V302-F343 HydrophobicContact CG2-CE1 3.57Å; V302-F343 HydrophobicContact CG2-CE2 3.81Å; V302-F343 HydrophobicContact CG2-CG 3.8Å; V302-F343 HydrophobicContact CG2-CZ 3.67Å
303	Q	93.7	Very high	95	Very high	125 Å²	125	37.1 Å²	37.1	58%	0.584	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68	135.6	176.6	-69.9	-70.2	-36.4	0	0	110.6	E301	E301-Q303 PolarHBondContact OE1-NE2 3.07Å
304	C	91.8	Very high	95	Very high	13 Å²	13	37.5 Å²	37.5	9%	0.088	19%	0.189	C	C	.	.			trans	-125.6	154	-178.9	-61.1	0	0	0	0	109.5	H286 V302 S306	H286-C304 WeakPolarHBondContact CB-O 3.41Å; H286-C304 WeakPolarHBondContact O-CA 3.18Å; H286-C304 WeakPolarHBondContact O-CB 3.13Å; H286-C304 PolarHBondContact O-N 3.28Å; H286-C304 VanDerWaalsContact O-O 3.08Å; V302-C304 PolarHBondContact O-SG 2.7Å; C304-S306 VanDerWaalsContact C-N 3.27Å; C304-S306 WeakPolarHBondContact CB-O 3.31Å
305	D	88.4	Confident	95	Very high	97 Å²	97	34.5 Å²	34.5	52%	0.519	18%	0.177	S	C	.	.	S	Bend	trans	-82.5	-8.8	177.5	-72.3	-47.8	0	0	0	113.2
306	S	90	Very high	94.9	Very high	7 Å²	7	38.3 Å²	38.3	5%	0.049	19%	0.189	C	C	.	.	S	Bend	trans	-162.8	165.5	-169.3	49.3	0	0	0	0	111.4	C304 C324 D325	C304-S306 VanDerWaalsContact C-N 3.27Å; C304-S306 WeakPolarHBondContact CB-O 3.31Å; S306-C324 WeakPolarHBondContact OG-CB 3.18Å; S306-D325 WeakPolarHBondContact CB-O 3.44Å; S306-D325 PolarHBondContact OG-O 3.29Å
307	P	93.4	Very high	94.7	Very high	19 Å²	19	41.9 Å²	41.9	12%	0.123	20%	0.197	C	C	.	.			trans	-52	137.3	176.2	-33.5	41.4	0	0	0	113.2	E284 F309 C324 D325	E284-P307 WeakPolarHBondContact OE2-CB 3.4Å; E284-P307 WeakPolarHBondContact OE2-CG 3.34Å; P307-F309 HydrophobicContact CB-CE1 4.34Å; P307-F309 HydrophobicContact CB-CZ 4.01Å; P307-C324 CarbonylContact O-C 3.59Å; P307-C324 WeakPolarHBondContact O-CA 3.44Å; P307-C324 VanDerWaalsContact O-CB 3.27Å; P307-C324 WeakPolarHBondContact O-CB 3.37Å; P307-D325 PolarHBondContact O-N 3.08Å
308	T	95	Very high	94.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	118.3	179.1	-61.7	0	0	0	0	110.3	A282 S283 I288 V311 Y322 C324	A282-T308 HydrophobicContact CB-CG2 3.74Å; S283-T308 PolarHBondContact O-N 3.32Å; S283-T308 VanDerWaalsContact O-N 3.16Å; I288-T308 HydrophobicContact CD1-CG2 3.99Å; I288-T308 HydrophobicContact CG1-CG2 4.09Å; T308-V311 HydrophobicContact CG2-CG1 3.62Å; T308-Y322 HydrophobicContact CG2-CD2 4.12Å; T308-C324 PolarHBondContact OG1-SG 2.76Å
309	F	92.9	Very high	94.4	Very high	41 Å²	41	37.1 Å²	37.1	18%	0.18	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-26.8	-176	-63.2	-60.7	0	0	0	114	K55 T269 P307 A323 D325	K55-F309 HydrophobicContact CD-CE2 4.41Å; K55-F309 VanDerWaalsContact CE-CD2 3.41Å; T269-F309 WeakPolarHBondContact CB-O 3.36Å; P307-F309 HydrophobicContact CB-CE1 4.34Å; P307-F309 HydrophobicContact CB-CZ 4.01Å; F309-A323 PolarHBondContact N-O 3.04Å; F309-A323 VanDerWaalsContact N-O 3.09Å; F309-D325 HydrophobicContact CD2-CB 4.49Å; F309-D325 HydrophobicContact CE2-CB 3.42Å; F309-D325 VanDerWaalsContact CE2-CB 3.42Å; F309-D325 VanDerWaalsContact CE2-CG 3.42Å; F309-D325 HydrophobicContact CZ-CB 3.92Å; F309-D325 WeakPolarHBondContact CZ-OD2 3.46Å
310	T	96.7	Very high	94.5	Very high	9 Å²	9	37 Å²	37	6%	0.055	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	135.6	-174.1	-177.3	0	0	0	0	110.2	V59 Y322 A323	V59-T310 HydrophobicContact CB-CG2 4.34Å; V59-T310 HydrophobicContact CG1-CG2 4.03Å; V59-T310 HydrophobicContact CG2-CG2 3.83Å; V59-T310 PolarHBondContact N-OG1 3.01Å; T310-Y322 WeakPolarHBondContact O-CA 3.47Å; T310-Y322 WeakPolarHBondContact O-CB 3.46Å; T310-A323 HydrophobicContact CG2-CB 3.72Å; T310-A323 PolarHBondContact O-N 3.12Å
311	V	98.1	Very high	94.5	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.042	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.6	175.8	-59	0	0	0	0	109.5	T269 S271 A280 A282 I288 T308 L320 A321	T269-V311 HydrophobicContact CG2-CB 4.22Å; T269-V311 HydrophobicContact CG2-CG1 3.86Å; T269-V311 HydrophobicContact CG2-CG2 3.72Å; T269-V311 PolarHBondContact OG1-N 2.93Å; S271-V311 WeakPolarHBondContact CB-O 3.21Å; A280-V311 HydrophobicContact CB-CG2 4.3Å; A282-V311 HydrophobicContact CB-CG1 4.04Å; I288-V311 HydrophobicContact CD1-CG1 3.95Å; I288-V311 HydrophobicContact CG1-CG1 4.36Å; I288-V311 HydrophobicContact CG2-CG1 4.33Å; T308-V311 HydrophobicContact CG2-CG1 3.62Å; V311-L320 HydrophobicContact CB-CD1 4.21Å; V311-A321 CarbonylContact C-O 3.56Å; V311-A321 WeakPolarHBondContact CA-O 3.4Å
312	A	98.2	Very high	94.6	Very high	10 Å²	10	31.8 Å²	31.8	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	117.3	178.5	0	0	0	0	0	110.9	V59 W61 A321	V59-A312 HydrophobicContact CG2-CB 4.07Å; W61-A312 PolarHBondContact NE1-O 3.21Å; A312-A321 PolarHBondContact N-O 3.39Å; A312-A321 PolarHBondContact O-N 3.36Å
313	W	98.1	Very high	94.5	Very high	15 Å²	15	31.5 Å²	31.5	6%	0.057	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.2	169.9	-74.9	100.6	0	0	0	111.6	F40 W61 S271 F272 M278 A280 I290 P318 L320	F40-W313 HydrophobicContact CE1-CH2 4.23Å; F40-W313 AromaticContact CZ-CH2 3.89Å; F40-W313 HydrophobicContact CZ-CH2 3.89Å; W61-W313 VanDerWaalsContact CD1-O 3.25Å; S271-W313 PolarHBondContact O-NE1 2.92Å; S271-W313 PolarHBondContact OG-N 2.95Å; F272-W313 WeakPolarHBondContact O-CB 3.45Å; M278-W313 HydrophobicContact CB-CZ2 4.46Å; M278-W313 HydrophobicContact CE-CH2 3.91Å; M278-W313 HydrophobicContact CE-CZ2 4.35Å; M278-W313 HydrophobicContact CE-CZ3 4.11Å; M278-W313 HydrophobicContact SD-CH2 4.42Å; A280-W313 HydrophobicContact CB-CZ2 4.1Å; A280-W313 VanDerWaalsContact CB-NE1 3.35Å; I290-W313 HydrophobicContact CD1-CH2 3.98Å; I290-W313 HydrophobicContact CD1-CZ2 4.08Å; I290-W313 HydrophobicContact CG1-CZ2 4.22Å; I290-W313 HydrophobicContact CG2-CH2 4.31Å; I290-W313 HydrophobicContact CG2-CZ2 3.96Å; W313-P318 HydrophobicContact CZ3-CB 4.41Å; W313-L320 HydrophobicContact CD2-CD1 3.73Å; W313-L320 HydrophobicContact CE3-CB 4.21Å; W313-L320 HydrophobicContact CE3-CD1 4.24Å; W313-L320 HydrophobicContact CG-CD1 3.9Å; W313-L320 HydrophobicContact CH2-CB 4.36Å; W313-L320 HydrophobicContact CZ2-CD1 4.23Å; W313-L320 HydrophobicContact CZ3-CB 4.11Å
314	H	97.1	Very high	94.3	Very high	9 Å²	9	25.6 Å²	25.6	4%	0.042	13%	0.128	C	C	.	.			trans	-68.1	138.2	168.2	-177.3	-59.6	0	0	0	110	W61 G65 K316 R317 L319	W61-H314 HydrophobicContact CD2-CB 4.27Å; W61-H314 AromaticContact CE3-CD2 3.79Å; W61-H314 AromaticContact CH2-CD2 3.73Å; W61-H314 HydrophobicContact CZ2-CB 4.34Å; W61-H314 AromaticContact CZ3-CD2 3.57Å; G65-H314 PolarHBondContact O-NE2 2.99Å; H314-K316 PolarHBondContact ND1-N 3.4Å; H314-K316 VanDerWaalsContact ND1-N 3.12Å; H314-K316 PolarHBondContact O-N 2.93Å; H314-R317 PolarHBondContact ND1-N 3.34Å; H314-L319 HydrophobicContact CB-CB 3.85Å; H314-L319 WeakPolarHBondContact CB-O 3.28Å; H314-L319 PolarHBondContact N-O 3.05Å
315	P	94.6	Very high	93.7	Very high	22 Å²	22	27 Å²	27	14%	0.143	14%	0.135	C	C	.	.	S	Bend	trans	-71.5	13	-173.7	30.8	-40.8	0	0	0	115.3	S62 G65 N274	S62-P315 WeakPolarHBondContact O-CG 3.43Å; G65-P315 VanDerWaalsContact CA-CG 3.49Å; N274-P315 VanDerWaalsContact CB-C 3.47Å; N274-P315 PolarHBondContact ND2-O 3.29Å; N274-P315 PolarHBondContact OD1-O 3.24Å
316	K	91.6	Very high	92.7	Very high	137 Å²	137	24 Å²	24	60%	0.596	12%	0.119	S	C	*	.	S	Bend	trans	-155.2	-26	-173.5	-62.5	-177.5	179.3	159	0	113.9	D64 H314	D64-K316 WeakPolarHBondContact O-CE 3.47Å; D64-K316 PolarHBondContact O-NZ 2.83Å; H314-K316 PolarHBondContact ND1-N 3.4Å; H314-K316 VanDerWaalsContact ND1-N 3.12Å; H314-K316 PolarHBondContact O-N 2.93Å
317	R	91	Very high	91.1	Very high	92 Å²	92	30.3 Å²	30.3	35%	0.347	15%	0.146	S	C	.	.	S	Bend	trans	-122.6	152.5	-173.3	-62.7	176.1	64.9	-173.3	-0.4	108.5	D85 H314 L319	D85-R317 IonicContact OD1-CZ 2.69Å; D85-R317 IonicContact OD1-NH1 2.76Å; D85-R317 PolarHBondContact OD1-NH1 2.87Å; D85-R317 IonicContact OD1-NH2 3.97Å; D85-R317 PolarHBondContact OD1-NH2 2.86Å; D85-R317 IonicContact OD2-NH2 3.97Å; H314-R317 PolarHBondContact ND1-N 3.34Å; R317-L319 HydrophobicContact CB-CB 4.44Å; R317-L319 HydrophobicContact CB-CD1 4.26Å; R317-L319 HydrophobicContact CB-CG 3.97Å; R317-L319 PolarHBondContact O-N 2.91Å
318	P	91.6	Very high	88.9	Confident	52 Å²	52	36.8 Å²	36.8	34%	0.338	17%	0.174	S	C	.	.	S	Bend	trans	-74.8	53	171.1	34.3	-36.5	0	0	0	110.7	M36 M278 W313	M36-P318 HydrophobicContact CE-CB 4.23Å; M278-P318 HydrophobicContact CE-CB 4.37Å; W313-P318 HydrophobicContact CZ3-CB 4.41Å
319	L	94.6	Very high	86.5	Confident	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.198	C	C	.	.			trans	-105.7	131.9	173.5	-68.3	-178.1	0	0	0	108.7	L82 H314 R317 L342 F343 G344 L345	L82-L319 HydrophobicContact CD2-CD1 3.9Å; H314-L319 HydrophobicContact CB-CB 3.85Å; H314-L319 WeakPolarHBondContact CB-O 3.28Å; H314-L319 PolarHBondContact N-O 3.05Å; R317-L319 HydrophobicContact CB-CB 4.44Å; R317-L319 HydrophobicContact CB-CD1 4.26Å; R317-L319 HydrophobicContact CB-CG 3.97Å; R317-L319 PolarHBondContact O-N 2.91Å; L319-L342 HydrophobicContact CB-CD1 4.26Å; L319-F343 WeakPolarHBondContact CA-O 3.34Å; L319-G344 WeakPolarHBondContact CD2-O 3.43Å; L319-L345 HydrophobicContact CD1-CD2 4.4Å; L319-L345 HydrophobicContact CD2-CD2 3.73Å; L319-L345 HydrophobicContact CD2-CG 4.41Å
320	L	97.5	Very high	84	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.4	179.6	-173.8	68.2	0	0	0	109.1	A280 I288 I290 V311 W313 F343	A280-L320 HydrophobicContact CB-CD1 4.06Å; A280-L320 HydrophobicContact CB-CD2 4.15Å; I288-L320 HydrophobicContact CD1-CD2 4.19Å; I288-L320 HydrophobicContact CG2-CD2 4.07Å; I290-L320 HydrophobicContact CD1-CD2 4.31Å; V311-L320 HydrophobicContact CB-CD1 4.21Å; W313-L320 HydrophobicContact CD2-CD1 3.73Å; W313-L320 HydrophobicContact CE3-CB 4.21Å; W313-L320 HydrophobicContact CE3-CD1 4.24Å; W313-L320 HydrophobicContact CG-CD1 3.9Å; W313-L320 HydrophobicContact CH2-CB 4.36Å; W313-L320 HydrophobicContact CZ2-CD1 4.23Å; W313-L320 HydrophobicContact CZ3-CB 4.11Å; L320-F343 HydrophobicContact CB-CB 4.39Å; L320-F343 HydrophobicContact CB-CD1 4.31Å; L320-F343 PolarHBondContact N-O 2.79Å; L320-F343 PolarHBondContact O-N 2.99Å
321	A	97.7	Very high	81.4	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	140	167.8	0	0	0	0	0	108.9	W61 L68 V311 A312 K341 L342	W61-A321 HydrophobicContact CZ2-CB 4.13Å; L68-A321 HydrophobicContact CD1-CB 3.69Å; L68-A321 HydrophobicContact CD2-CB 3.87Å; L68-A321 HydrophobicContact CG-CB 4.49Å; V311-A321 CarbonylContact C-O 3.56Å; V311-A321 WeakPolarHBondContact CA-O 3.4Å; A312-A321 PolarHBondContact N-O 3.39Å; A312-A321 PolarHBondContact O-N 3.36Å; A321-K341 CarbonylContact C-O 3.58Å; A321-K341 WeakPolarHBondContact CA-O 3.49Å; A321-L342 HydrophobicContact CB-CD1 4.16Å
322	Y	97.4	Very high	78.6	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	157.7	177.9	64.4	-77.2	0	0	0	111.1	S46 I288 T308 T310 C324 K341 F343	S46-Y322 WeakPolarHBondContact CB-OH 3.43Å; S46-Y322 PolarHBondContact OG-OH 3.02Å; I288-Y322 HydrophobicContact CD1-CD1 4.06Å; I288-Y322 HydrophobicContact CD1-CD2 3.59Å; I288-Y322 HydrophobicContact CD1-CE1 4.46Å; I288-Y322 HydrophobicContact CD1-CE2 3.98Å; I288-Y322 HydrophobicContact CD1-CG 3.61Å; T308-Y322 HydrophobicContact CG2-CD2 4.12Å; T310-Y322 WeakPolarHBondContact O-CA 3.47Å; T310-Y322 WeakPolarHBondContact O-CB 3.46Å; Y322-C324 VanDerWaalsContact CD2-SG 3.57Å; Y322-C324 VanDerWaalsContact CE2-SG 3.59Å; Y322-K341 HydrophobicContact CD1-CB 3.92Å; Y322-K341 HydrophobicContact CD2-CB 4.09Å; Y322-K341 HydrophobicContact CD2-CD 4.48Å; Y322-K341 HydrophobicContact CE1-CB 3.5Å; Y322-K341 HydrophobicContact CE2-CB 3.75Å; Y322-K341 HydrophobicContact CE2-CD 3.7Å; Y322-K341 HydrophobicContact CE2-CG 4.16Å; Y322-K341 HydrophobicContact CG-CB 4.19Å; Y322-K341 VanDerWaalsContact CZ-CB 3.44Å; Y322-K341 PolarHBondContact N-O 3.37Å; Y322-K341 PolarHBondContact O-N 3.43Å; Y322-F343 HydrophobicContact CD1-CB 4.46Å; Y322-F343 HydrophobicContact CE1-CB 3.83Å
323	A	95.4	Very high	75.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	138.7	171.5	0	0	0	0	0	110.1	V56 V59 F309 T310	V56-A323 HydrophobicContact CB-CB 3.81Å; V56-A323 HydrophobicContact CG1-CB 3.73Å; V59-A323 HydrophobicContact CG1-CB 4.04Å; F309-A323 PolarHBondContact N-O 3.04Å; F309-A323 VanDerWaalsContact N-O 3.09Å; T310-A323 HydrophobicContact CG2-CB 3.72Å; T310-A323 PolarHBondContact O-N 3.12Å
324	C	90	Very high	73.3	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	168.1	-179.3	-49.4	0	0	0	0	110.5	S306 P307 T308 Y322 D326	S306-C324 WeakPolarHBondContact OG-CB 3.18Å; P307-C324 CarbonylContact O-C 3.59Å; P307-C324 WeakPolarHBondContact O-CA 3.44Å; P307-C324 VanDerWaalsContact O-CB 3.27Å; P307-C324 WeakPolarHBondContact O-CB 3.37Å; T308-C324 PolarHBondContact OG1-SG 2.76Å; Y322-C324 VanDerWaalsContact CD2-SG 3.57Å; Y322-C324 VanDerWaalsContact CE2-SG 3.59Å; C324-D326 PolarHBondContact O-N 3.44Å
325	D	79.4	Confident	71.1	Confident	44 Å²	44	84.5 Å²	84.5	24%	0.235	40%	0.402	C	S	.	.			trans	-62.9	126.6	162.1	-133	-8.3	0	0	0	108.3	K55 S306 P307 F309 K327	K55-D325 WeakPolarHBondContact CD-OD1 3.49Å; K55-D325 VanDerWaalsContact CE-OD1 3.25Å; K55-D325 WeakPolarHBondContact CE-OD1 3.36Å; K55-D325 IonicContact NZ-OD1 2.77Å; K55-D325 PolarHBondContact NZ-OD1 2.76Å; K55-D325 IonicContact NZ-OD2 3.2Å; K55-D325 PolarHBondContact NZ-OD2 2.86Å; S306-D325 WeakPolarHBondContact CB-O 3.44Å; S306-D325 PolarHBondContact OG-O 3.29Å; P307-D325 PolarHBondContact O-N 3.08Å; F309-D325 HydrophobicContact CD2-CB 4.49Å; F309-D325 HydrophobicContact CE2-CB 3.42Å; F309-D325 VanDerWaalsContact CE2-CB 3.42Å; F309-D325 VanDerWaalsContact CE2-CG 3.42Å; F309-D325 HydrophobicContact CZ-CB 3.92Å; F309-D325 WeakPolarHBondContact CZ-OD2 3.46Å; D325-K327 PolarHBondContact O-N 2.94Å
326	D	65.8	Low	69.4	Low	32 Å²	32	89 Å²	89	17%	0.171	42%	0.422	C	S	.	.			trans	-69.9	136.3	166.8	-61.8	-57.6	0	0	0	107.4	C324 E328 A337 G338 T339	C324-D326 PolarHBondContact O-N 3.44Å; D326-E328 PolarHBondContact O-N 3.45Å; D326-A337 VanDerWaalsContact CG-O 3.28Å; D326-G338 WeakPolarHBondContact OD2-CA 3.21Å; D326-G338 PolarHBondContact OD2-N 3.29Å; D326-T339 PolarHBondContact OD1-OG1 2.87Å; D326-T339 PolarHBondContact OD2-N 3.47Å
327	K	56.8	Low	68.5	Low	141 Å²	141	84.8 Å²	84.8	61%	0.613	41%	0.412	S	S	*	.			trans	-41.9	130.1	-170	-69.2	177.7	178.5	174.1	0	111.2	D325 G329	D325-K327 PolarHBondContact O-N 2.94Å; K327-G329 VanDerWaalsContact C-N 3.34Å; K327-G329 PolarHBondContact O-N 2.92Å
328	E	47.6	Very low	68.2	Low	155 Å²	155	80.4 Å²	80.4	72%	0.724	40%	0.396	S	S	*	.			trans	-49.1	101.8	167.1	-82.7	-166.5	163.7	0	0	108.5	D326 K330	D326-E328 PolarHBondContact O-N 3.45Å; E328-K330 PolarHBondContact O-N 3.36Å
329	G	44.8	Very low	68.2	Low	49 Å²	49	78.6 Å²	78.6	51%	0.505	38%	0.384	S	S	.	.			trans	-70.7	78.4	169.8	0	0	0	0	0	107.9	K327 Y331	K327-G329 VanDerWaalsContact C-N 3.34Å; K327-G329 PolarHBondContact O-N 2.92Å; G329-Y331 PolarHBondContact O-N 2.58Å
330	K	40.6	Very low	68.3	Low	167 Å²	167	78.5 Å²	78.5	73%	0.726	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	98.1	157.2	-77.4	-176.4	-178.6	172	0	106	E328	E328-K330 PolarHBondContact O-N 3.36Å
331	Y	41.1	Very low	68.2	Low	227 Å²	227	78.9 Å²	78.9	89%	0.89	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	30.1	169.5	-58.1	-81.8	0	0	0	120.3	G329	G329-Y331 PolarHBondContact O-N 2.58Å
332	D	38.8	Very low	68.1	Low	124 Å²	124	78.9 Å²	78.9	66%	0.663	39%	0.385	S	S	*	.			trans	-137.4	122.4	164.5	-125.4	-18.7	0	0	0	114	N334	D332-N334 PolarHBondContact O-N 3.49Å
333	N	41.2	Very low	68	Low	171 Å²	171	78.8 Å²	78.8	91%	0.914	39%	0.385	S	S	*	.			trans	-69.4	15.6	176.4	-80.6	-34.5	0	0	0	113	R335	N333-R335 PolarHBondContact O-N 3.43Å
334	N	44.4	Very low	67.8	Low	137 Å²	137	79 Å²	79	73%	0.733	39%	0.387	S	S	*	.	S	Bend	trans	-84.7	95.5	174	-97.3	-17.8	0	0	0	108.9	D332 E336	D332-N334 PolarHBondContact O-N 3.49Å; N334-E336 PolarHBondContact O-N 2.82Å
335	R	50.7	Low	67.5	Low	217 Å²	217	79 Å²	79	82%	0.819	39%	0.387	S	S	*	.			trans	-9	109.9	167.2	-67	176.2	175.2	172.2	-2	113.9	N333 A337	N333-R335 PolarHBondContact O-N 3.43Å; R335-A337 PolarHBondContact O-N 2.95Å
336	E	59.5	Low	67.6	Low	117 Å²	117	79 Å²	79	55%	0.547	39%	0.389	S	S	.	.			trans	-51.2	102.4	170.2	-65.6	169.2	176.5	0	0	110	T53 A54 N334 G338	T53-E336 CarbonylContact C-O 3.57Å; A54-E336 WeakPolarHBondContact CA-O 3.49Å; A54-E336 PolarHBondContact N-O 2.75Å; N334-E336 PolarHBondContact O-N 2.82Å; E336-G338 PolarHBondContact O-N 3.44Å
337	A	73.1	Confident	68	Low	49 Å²	49	79.8 Å²	79.8	41%	0.405	39%	0.393	S	S	.	.			trans	-90.4	100.2	-175	0	0	0	0	0	110.4	H52 D326 R335 T339	H52-A337 CarbonylContact O-C 3.55Å; H52-A337 WeakPolarHBondContact O-CA 3.48Å; D326-A337 VanDerWaalsContact CG-O 3.28Å; R335-A337 PolarHBondContact O-N 2.95Å; A337-T339 WeakPolarHBondContact O-CG2 3.37Å; A337-T339 PolarHBondContact O-N 2.79Å
338	G	84.9	Confident	68.4	Low	0 Å²	0	81 Å²	81	0%	0	41%	0.407	C	S	.	.			trans	-44.7	108.7	173.8	0	0	0	0	0	113.4	A51 H52 A54 D326 E336	A51-G338 WeakPolarHBondContact CB-O 3.39Å; A51-G338 PolarHBondContact N-O 3.04Å; H52-G338 PolarHBondContact N-O 2.77Å; H52-G338 PolarHBondContact O-N 3.32Å; A54-G338 WeakPolarHBondContact O-CA 3.28Å; A54-G338 PolarHBondContact O-N 3.43Å; D326-G338 WeakPolarHBondContact OD2-CA 3.21Å; D326-G338 PolarHBondContact OD2-N 3.29Å; E336-G338 PolarHBondContact O-N 3.44Å
339	T	91.7	Very high	68.7	Low	14 Å²	14	77.1 Å²	77.1	9%	0.086	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	141.1	178.4	60.6	0	0	0	0	113.2	D326 A337	D326-T339 PolarHBondContact OD1-OG1 2.87Å; D326-T339 PolarHBondContact OD2-N 3.47Å; A337-T339 WeakPolarHBondContact O-CG2 3.37Å; A337-T339 PolarHBondContact O-N 2.79Å
340	V	95.2	Very high	69.9	Low	0 Å²	0	78.6 Å²	78.6	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.3	166.2	175.4	0	0	0	0	107.8	F49 A51 V56 V59 L68 L87	F49-V340 WeakPolarHBondContact CB-O 3.44Å; F49-V340 WeakPolarHBondContact CD2-O 3.33Å; F49-V340 PolarHBondContact N-O 3.39Å; F49-V340 PolarHBondContact O-N 3.05Å; A51-V340 HydrophobicContact CB-CB 4.42Å; A51-V340 HydrophobicContact CB-CG2 3.72Å; V56-V340 HydrophobicContact CG1-CG2 4.44Å; V59-V340 HydrophobicContact CG1-CG1 4.4Å; V59-V340 HydrophobicContact CG1-CG2 4.13Å; L68-V340 HydrophobicContact CD2-CG1 3.56Å; L87-V340 HydrophobicContact CD1-CG1 4.38Å
341	K	95.3	Very high	71.5	Confident	8 Å²	8	73.9 Å²	73.9	4%	0.035	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.5	-177.5	-51.6	-167.4	-170.6	-165.1	0	110.7	R47 E48 A321 Y322	R47-K341 CarbonylContact O-C 3.54Å; R47-K341 VanDerWaalsContact O-CA 3.24Å; R47-K341 WeakPolarHBondContact O-CA 3.3Å; E48-K341 HydrophobicContact CB-CG 4.45Å; E48-K341 HydrophobicContact CG-CD 3.92Å; E48-K341 HydrophobicContact CG-CG 3.98Å; E48-K341 WeakPolarHBondContact OE1-CE 3.44Å; E48-K341 IonicContact OE1-NZ 2.76Å; E48-K341 PolarHBondContact OE1-NZ 2.57Å; A321-K341 CarbonylContact C-O 3.58Å; A321-K341 WeakPolarHBondContact CA-O 3.49Å; Y322-K341 HydrophobicContact CD1-CB 3.92Å; Y322-K341 HydrophobicContact CD2-CB 4.09Å; Y322-K341 HydrophobicContact CD2-CD 4.48Å; Y322-K341 HydrophobicContact CE1-CB 3.5Å; Y322-K341 HydrophobicContact CE2-CB 3.75Å; Y322-K341 HydrophobicContact CE2-CD 3.7Å; Y322-K341 HydrophobicContact CE2-CG 4.16Å; Y322-K341 HydrophobicContact CG-CB 4.19Å; Y322-K341 VanDerWaalsContact CZ-CB 3.44Å; Y322-K341 PolarHBondContact N-O 3.37Å; Y322-K341 PolarHBondContact O-N 3.43Å
342	L	95.7	Very high	73.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117	176.5	-168.8	64.6	0	0	0	109.8	S46 R47 F49 W61 L82 L87 L319 A321 L345	S46-L342 CarbonylContact C-O 3.59Å; S46-L342 VanDerWaalsContact CA-O 3.28Å; S46-L342 WeakPolarHBondContact CA-O 3.48Å; R47-L342 PolarHBondContact N-O 3.37Å; R47-L342 PolarHBondContact O-N 3.02Å; F49-L342 HydrophobicContact CE2-CB 3.91Å; W61-L342 HydrophobicContact CH2-CD1 4.43Å; W61-L342 HydrophobicContact CZ2-CD1 3.74Å; L82-L342 HydrophobicContact CD1-CD2 3.8Å; L87-L342 HydrophobicContact CG-CD2 4.43Å; L319-L342 HydrophobicContact CB-CD1 4.26Å; A321-L342 HydrophobicContact CB-CD1 4.16Å; L342-L345 HydrophobicContact CB-CD1 4.44Å; L342-L345 HydrophobicContact CD2-CD1 4.19Å; L342-L345 HydrophobicContact CD2-CD2 3.62Å; L342-L345 HydrophobicContact CD2-CG 4.2Å; L342-L345 HydrophobicContact CG-CD1 4.39Å; L342-L345 HydrophobicContact CG-CD2 4.12Å; L342-L345 HydrophobicContact CG-CG 4.28Å
343	F	95.7	Very high	75.2	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.009	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	153.9	175.5	172.3	-97.3	0	0	0	111	F40 N44 I290 W300 V302 L319 L320 Y322	F40-F343 AromaticContact CD1-CE1 3.57Å; F40-F343 HydrophobicContact CD1-CE1 3.57Å; F40-F343 AromaticContact CD1-CZ 3.92Å; F40-F343 HydrophobicContact CD1-CZ 3.92Å; F40-F343 AromaticContact CE1-CE1 3.8Å; F40-F343 HydrophobicContact CE1-CE1 3.8Å; F40-F343 HydrophobicContact CG-CE1 4.47Å; N44-F343 HydrophobicContact CB-CE2 4.31Å; N44-F343 WeakPolarHBondContact O-CE2 3.43Å; I290-F343 HydrophobicContact CD1-CD1 4.41Å; I290-F343 HydrophobicContact CD1-CE1 3.98Å; W300-F343 AromaticContact CD1-CZ 3.58Å; W300-F343 HydrophobicContact CG-CZ 4.48Å; W300-F343 AromaticContact NE1-CZ 3.61Å; V302-F343 HydrophobicContact CB-CD2 4.41Å; V302-F343 HydrophobicContact CG1-CB 4.32Å; V302-F343 HydrophobicContact CG1-CD2 3.65Å; V302-F343 HydrophobicContact CG1-CE2 4.1Å; V302-F343 HydrophobicContact CG1-CG 3.95Å; V302-F343 HydrophobicContact CG2-CD1 3.64Å; V302-F343 HydrophobicContact CG2-CD2 3.88Å; V302-F343 HydrophobicContact CG2-CE1 3.57Å; V302-F343 HydrophobicContact CG2-CE2 3.81Å; V302-F343 HydrophobicContact CG2-CG 3.8Å; V302-F343 HydrophobicContact CG2-CZ 3.67Å; L319-F343 WeakPolarHBondContact CA-O 3.34Å; L320-F343 HydrophobicContact CB-CB 4.39Å; L320-F343 HydrophobicContact CB-CD1 4.31Å; L320-F343 PolarHBondContact N-O 2.79Å; L320-F343 PolarHBondContact O-N 2.99Å; Y322-F343 HydrophobicContact CD1-CB 4.46Å; Y322-F343 HydrophobicContact CE1-CB 3.83Å
344	G	91	Very high	77.3	Confident	5 Å²	5	55.1 Å²	55.1	5%	0.052	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	96.1	12.4	179.6	0	0	0	0	0	114.1	N43 L319	N43-G344 CarbonylContact O-C 3.59Å; N43-G344 WeakPolarHBondContact O-CA 3.45Å; N43-G344 PolarHBondContact O-N 2.84Å; L319-G344 WeakPolarHBondContact CD2-O 3.43Å
345	L	85.3	Confident	79.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	148.1	178.9	-60.2	173.7	0	0	0	111.2	N43 R47 D85 L319 L342	N43-L345 CarbonylContact C-O 3.59Å; N43-L345 WeakPolarHBondContact CA-O 3.49Å; N43-L345 WeakPolarHBondContact CB-O 3.45Å; R47-L345 HydrophobicContact CB-CD1 3.94Å; R47-L345 VanDerWaalsContact CD-CD1 3.47Å; R47-L345 HydrophobicContact CG-CD1 3.68Å; D85-L345 HydrophobicContact CB-CD2 3.55Å; D85-L345 WeakPolarHBondContact O-CD1 3.37Å; L319-L345 HydrophobicContact CD1-CD2 4.4Å; L319-L345 HydrophobicContact CD2-CD2 3.73Å; L319-L345 HydrophobicContact CD2-CG 4.41Å; L342-L345 HydrophobicContact CB-CD1 4.44Å; L342-L345 HydrophobicContact CD2-CD1 4.19Å; L342-L345 HydrophobicContact CD2-CD2 3.62Å; L342-L345 HydrophobicContact CD2-CG 4.2Å; L342-L345 HydrophobicContact CG-CD1 4.39Å; L342-L345 HydrophobicContact CG-CD2 4.12Å; L342-L345 HydrophobicContact CG-CG 4.28Å
346	P	80.9	Confident	81.6	Confident	43 Å²	43	37.7 Å²	37.7	28%	0.279	22%	0.22	S	C	.	.			trans	-57.7	139.4	177.7	-22.3	32.7	0	0	0	112.4	N43 D85 D348 S349	N43-P346 WeakPolarHBondContact OD1-CA 3.49Å; D85-P346 WeakPolarHBondContact OD2-CD 3.11Å; P346-D348 PolarHBondContact O-N 3.46Å; P346-D348 VanDerWaalsContact O-N 3.14Å; P346-S349 WeakPolarHBondContact O-CB 3.5Å; P346-S349 PolarHBondContact O-N 3.34Å; P346-S349 VanDerWaalsContact O-N 3.1Å; P346-S349 PolarHBondContact O-OG 3.25Å
347	N	73.6	Confident	83.3	Confident	49 Å²	49	31.6 Å²	31.6	26%	0.262	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.8	178.6	-78.3	-14	0	0	0	113.7	N42 N44 K45	N42-N347 WeakPolarHBondContact O-CB 3.44Å; N42-N347 PolarHBondContact O-N 3.41Å; N42-N347 PolarHBondContact O-ND2 2.98Å; N42-N347 PolarHBondContact O-OD1 3.49Å; N44-N347 PolarHBondContact OD1-OD1 2.83Å; K45-N347 PolarHBondContact NZ-O 3.41Å
348	D	65	Low	84.1	Confident	167 Å²	167	30.2 Å²	30.2	89%	0.893	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	2.9	-178.9	-61.8	-26.5	0	0	0	114.1	P346	P346-D348 PolarHBondContact O-N 3.46Å; P346-D348 VanDerWaalsContact O-N 3.14Å
349	S	55	Low	84	Confident	74 Å²	74	32.9 Å²	32.9	52%	0.517	19%	0.194	S	C	.	.			trans	-78.2	0	-178.6	64.2	0	0	0	0	114.1	R47 P346	R47-S349 PolarHBondContact NH2-O 2.87Å; R47-S349 PolarHBondContact NH2-OG 3.42Å; R47-S349 PolarHBondContact NH2-OXT 2.83Å; P346-S349 WeakPolarHBondContact O-CB 3.5Å; P346-S349 PolarHBondContact O-N 3.34Å; P346-S349 VanDerWaalsContact O-N 3.1Å; P346-S349 PolarHBondContact O-OG 3.25Å

Retrieved 349 of 349 residues in 608.6 ms (Link to these results)

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