A0A087XZD1_POEFO Loading...

Autophagy-related protein 16 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XZD1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 581 aa.

Structure Viewer

Loading PAE data...

(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	39.3	Very low	44.7	Very low	234 Å²	234	122.5 Å²	122.5	100%	1.153	70%	0.704	S	S	*	*				0	108.5	0	-80.9	-171	175.2	0	0	106.6
2	D	34.3	Very low	45.2	Very low	153 Å²	153	127.8 Å²	127.8	82%	0.818	70%	0.704	S	S	*	*			trans	-98.4	122.1	-164.4	-52.8	-61.8	0	0	0	112.3	G4	D2-G4 PolarHBondContact O-N 3.28Å; D2-G4 VanDerWaalsContact O-N 3.12Å
3	P	43.8	Very low	45.9	Very low	129 Å²	129	123.8 Å²	123.8	84%	0.838	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-75.7	6.1	-179.6	30.9	-35.2	0	0	0	114	G5	P3-G5 PolarHBondContact O-N 3.46Å
4	G	42.6	Very low	46.5	Very low	57 Å²	57	117.1 Å²	117.1	59%	0.588	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-76.1	-12.8	-174.5	0	0	0	0	0	116.2	D2	D2-G4 PolarHBondContact O-N 3.28Å; D2-G4 VanDerWaalsContact O-N 3.12Å
5	G	41.5	Very low	47.2	Very low	53 Å²	53	117.5 Å²	117.5	55%	0.546	65%	0.653	S	S	.	*	G	3₁₀ helix	trans	-74	-28.7	-168.2	0	0	0	0	0	116.4	P3	P3-G5 PolarHBondContact O-N 3.46Å
6	A	45.8	Very low	48.3	Very low	78 Å²	78	116.4 Å²	116.4	65%	0.645	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.3	-45.1	-169	0	0	0	0	0	113.6	R8 R9 S10	A6-R8 PolarHBondContact O-N 3.31Å; A6-R9 PolarHBondContact O-N 3.07Å; A6-S10 PolarHBondContact O-N 3.39Å
7	S	48.3	Very low	49.2	Very low	93 Å²	93	117.8 Å²	117.8	65%	0.65	64%	0.643	S	S	*	*	H	α-helix	trans	-56.9	-48.3	-174.5	175.4	0	0	0	0	112.9	R9 S10 S11	S7-R9 PolarHBondContact O-N 2.99Å; S7-S10 WeakPolarHBondContact O-CB 3.44Å; S7-S10 PolarHBondContact O-N 3.43Å; S7-S10 VanDerWaalsContact O-N 3.09Å; S7-S11 PolarHBondContact O-N 3.01Å
8	R	46.8	Very low	50.5	Low	206 Å²	206	119.3 Å²	119.3	78%	0.777	64%	0.638	S	S	*	*	H	α-helix	trans	-65.8	-16.5	-179.1	-86.3	-178.2	164.8	179.9	-4.1	115.1	A6	A6-R8 PolarHBondContact O-N 3.31Å
9	R	46.8	Very low	52	Low	211 Å²	211	114.8 Å²	114.8	80%	0.796	62%	0.623	S	S	*	*	H	α-helix	trans	-84.2	-35	172.1	-73	-174.4	173.3	-174.3	-1.6	111.8	A6 S7 S13	A6-R9 PolarHBondContact O-N 3.07Å; S7-R9 PolarHBondContact O-N 2.99Å; R9-S13 PolarHBondContact O-N 2.9Å
10	S	51.5	Low	53.2	Low	84 Å²	84	114.3 Å²	114.3	59%	0.587	62%	0.616	S	S	*	*	H	α-helix	trans	-66	-46.7	175.5	-175	0	0	0	0	112	A6 S7 R12 S13 A14	A6-S10 PolarHBondContact O-N 3.39Å; S7-S10 WeakPolarHBondContact O-CB 3.44Å; S7-S10 PolarHBondContact O-N 3.43Å; S7-S10 VanDerWaalsContact O-N 3.09Å; S10-R12 PolarHBondContact O-N 3.31Å; S10-S13 WeakPolarHBondContact O-CB 3.26Å; S10-S13 PolarHBondContact O-N 3.11Å; S10-A14 PolarHBondContact O-N 3.4Å
11	S	50.8	Low	54.5	Low	49 Å²	49	112.9 Å²	112.9	34%	0.343	61%	0.607	S	S	.	*	H	α-helix	trans	-61.3	-44.5	-179.3	68.5	0	0	0	0	112.8	S7 S13 A14 E15	S7-S11 PolarHBondContact O-N 3.01Å; S11-S13 VanDerWaalsContact C-N 3.3Å; S11-S13 PolarHBondContact O-N 2.71Å; S11-A14 WeakPolarHBondContact O-CA 3.48Å; S11-A14 WeakPolarHBondContact O-CB 3.49Å; S11-A14 PolarHBondContact O-N 3.45Å; S11-E15 WeakPolarHBondContact O-CG 3.42Å; S11-E15 PolarHBondContact O-N 3.15Å
12	R	51.3	Low	56.4	Low	187 Å²	187	106.1 Å²	106.1	71%	0.706	58%	0.575	S	S	*	*	H	α-helix	trans	-61.2	-36.4	176.4	-77.6	-177.2	166.9	-170.1	-3.8	112.9	S10 E15 T16	S10-R12 PolarHBondContact O-N 3.31Å; R12-E15 PolarHBondContact O-N 3.2Å; R12-T16 WeakPolarHBondContact O-CG2 3.49Å; R12-T16 PolarHBondContact O-N 2.88Å; R12-T16 PolarHBondContact O-OG1 3.36Å
13	S	54.3	Low	58.6	Low	76 Å²	76	105.4 Å²	105.4	53%	0.531	57%	0.567	S	S	.	*	H	α-helix	trans	-65.4	-40.9	172.5	-174.2	0	0	0	0	111.6	R9 S10 S11 E15 T16 W17	R9-S13 PolarHBondContact O-N 2.9Å; S10-S13 WeakPolarHBondContact O-CB 3.26Å; S10-S13 PolarHBondContact O-N 3.11Å; S11-S13 VanDerWaalsContact C-N 3.3Å; S11-S13 PolarHBondContact O-N 2.71Å; S13-E15 VanDerWaalsContact C-N 3.29Å; S13-E15 PolarHBondContact O-N 3.09Å; S13-T16 PolarHBondContact O-OG1 3.4Å; S13-T16 VanDerWaalsContact O-OG1 3.11Å; S13-W17 VanDerWaalsContact O-CD1 3.22Å
14	A	53.8	Low	60.3	Low	30 Å²	30	104 Å²	104	25%	0.248	55%	0.549	C	S	.	.	H	α-helix	trans	-67.5	-27.2	177.8	0	0	0	0	0	113.8	S10 S11 W17 R18	S10-A14 PolarHBondContact O-N 3.4Å; S11-A14 WeakPolarHBondContact O-CA 3.48Å; S11-A14 WeakPolarHBondContact O-CB 3.49Å; S11-A14 PolarHBondContact O-N 3.45Å; A14-W17 PolarHBondContact O-NE1 3.02Å; A14-R18 VanDerWaalsContact O-CD 3.29Å; A14-R18 WeakPolarHBondContact O-CD 3.46Å; A14-R18 VanDerWaalsContact O-CG 3.32Å; A14-R18 WeakPolarHBondContact O-CG 3.33Å
15	E	57.3	Low	62.2	Low	123 Å²	123	106.5 Å²	106.5	58%	0.575	55%	0.548	S	S	*	.	H	α-helix	trans	-79.3	-40	177.9	-72.5	160.5	178.2	0	0	112.4	S11 R12 S13 R18 G19	S11-E15 WeakPolarHBondContact O-CG 3.42Å; S11-E15 PolarHBondContact O-N 3.15Å; R12-E15 PolarHBondContact O-N 3.2Å; S13-E15 VanDerWaalsContact C-N 3.29Å; S13-E15 PolarHBondContact O-N 3.09Å; E15-R18 PolarHBondContact O-N 3.23Å; E15-G19 PolarHBondContact O-N 3.04Å
16	T	64.2	Low	64.2	Low	99 Å²	99	110.2 Å²	110.2	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-67.9	-41.5	-176.3	51.1	0	0	0	0	113.3	R12 S13 R18 G19 H20	R12-T16 WeakPolarHBondContact O-CG2 3.49Å; R12-T16 PolarHBondContact O-N 2.88Å; R12-T16 PolarHBondContact O-OG1 3.36Å; S13-T16 PolarHBondContact O-OG1 3.4Å; S13-T16 VanDerWaalsContact O-OG1 3.11Å; T16-R18 VanDerWaalsContact C-N 3.34Å; T16-R18 PolarHBondContact O-N 3.18Å; T16-G19 PolarHBondContact O-N 3.15Å; T16-H20 PolarHBondContact O-N 3.13Å
17	W	64.5	Low	66	Low	140 Å²	140	111.9 Å²	111.9	53%	0.53	54%	0.544	S	S	.	.	H	α-helix	trans	-66.9	-36.2	177.7	73.2	-106.4	0	0	0	112.3	S13 A14 H20 I21	S13-W17 VanDerWaalsContact O-CD1 3.22Å; A14-W17 PolarHBondContact O-NE1 3.02Å; W17-H20 PolarHBondContact O-N 3.18Å; W17-I21 HydrophobicContact CE3-CD1 3.69Å; W17-I21 HydrophobicContact CE3-CG1 4.48Å; W17-I21 HydrophobicContact CZ3-CD1 3.86Å; W17-I21 WeakPolarHBondContact O-CG1 3.48Å; W17-I21 PolarHBondContact O-N 3.3Å
18	R	71.4	Confident	67.7	Low	145 Å²	145	115.4 Å²	115.4	55%	0.547	54%	0.543	S	S	.	.	H	α-helix	trans	-64.2	-44.8	174.4	-70.1	175.4	177.4	172.8	-3.3	111.2	A14 E15 T16 H20 I21 I22	A14-R18 VanDerWaalsContact O-CD 3.29Å; A14-R18 WeakPolarHBondContact O-CD 3.46Å; A14-R18 VanDerWaalsContact O-CG 3.32Å; A14-R18 WeakPolarHBondContact O-CG 3.33Å; E15-R18 PolarHBondContact O-N 3.23Å; T16-R18 VanDerWaalsContact C-N 3.34Å; T16-R18 PolarHBondContact O-N 3.18Å; R18-H20 VanDerWaalsContact C-N 3.34Å; R18-H20 PolarHBondContact O-N 3.49Å; R18-I21 PolarHBondContact O-N 3.25Å; R18-I22 VanDerWaalsContact O-CG1 3.32Å; R18-I22 WeakPolarHBondContact O-CG1 3.09Å; R18-I22 PolarHBondContact O-N 3.13Å
19	G	78.9	Confident	69.7	Low	34 Å²	34	110.5 Å²	110.5	35%	0.351	53%	0.532	S	S	.	.	H	α-helix	trans	-57.8	-44.4	173.1	0	0	0	0	0	112.6	E15 T16 I22 Q23	E15-G19 PolarHBondContact O-N 3.04Å; T16-G19 PolarHBondContact O-N 3.15Å; G19-I22 PolarHBondContact O-N 3.38Å; G19-Q23 WeakPolarHBondContact O-CG 3.44Å; G19-Q23 PolarHBondContact O-N 3.05Å
20	H	77.4	Confident	71.6	Confident	105 Å²	105	109.4 Å²	109.4	49%	0.486	53%	0.528	S	S	.	.	H	α-helix	trans	-63.8	-45.2	178.2	-171.1	76.5	0	0	0	112.6	T16 W17 R18 I22 Q23 Q24	T16-H20 PolarHBondContact O-N 3.13Å; W17-H20 PolarHBondContact O-N 3.18Å; R18-H20 VanDerWaalsContact C-N 3.34Å; R18-H20 PolarHBondContact O-N 3.49Å; H20-I22 VanDerWaalsContact C-N 3.33Å; H20-I22 PolarHBondContact O-N 3.17Å; H20-Q23 PolarHBondContact O-N 2.85Å; H20-Q24 PolarHBondContact NE2-NE2 3.44Å; H20-Q24 VanDerWaalsContact O-CG 3.32Å; H20-Q24 WeakPolarHBondContact O-CG 3.39Å; H20-Q24 PolarHBondContact O-N 2.93Å
21	I	79.8	Confident	73.1	Confident	84 Å²	84	109.1 Å²	109.1	43%	0.431	52%	0.519	S	S	.	.	H	α-helix	trans	-62	-40.6	176.4	-69.4	-178.6	0	0	0	111.4	W17 R18 Q23 Q24 L25	W17-I21 HydrophobicContact CE3-CD1 3.69Å; W17-I21 HydrophobicContact CE3-CG1 4.48Å; W17-I21 HydrophobicContact CZ3-CD1 3.86Å; W17-I21 WeakPolarHBondContact O-CG1 3.48Å; W17-I21 PolarHBondContact O-N 3.3Å; R18-I21 PolarHBondContact O-N 3.25Å; I21-Q23 VanDerWaalsContact C-N 3.3Å; I21-Q23 PolarHBondContact O-N 3.24Å; I21-Q24 PolarHBondContact O-N 3.07Å; I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.33Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 WeakPolarHBondContact O-CG 3.45Å; I21-L25 PolarHBondContact O-N 3.46Å
22	I	80.3	Confident	74.5	Confident	93 Å²	93	111.4 Å²	111.4	48%	0.477	52%	0.524	S	S	.	.	H	α-helix	trans	-64.5	-35.5	176.9	-68.1	166	0	0	0	111.3	R18 G19 H20 K26	R18-I22 VanDerWaalsContact O-CG1 3.32Å; R18-I22 WeakPolarHBondContact O-CG1 3.09Å; R18-I22 PolarHBondContact O-N 3.13Å; G19-I22 PolarHBondContact O-N 3.38Å; H20-I22 VanDerWaalsContact C-N 3.33Å; H20-I22 PolarHBondContact O-N 3.17Å; I22-K26 HydrophobicContact CG2-CD 4.28Å; I22-K26 WeakPolarHBondContact O-CB 3.27Å; I22-K26 WeakPolarHBondContact O-CG 3.41Å; I22-K26 PolarHBondContact O-N 2.96Å; I22-K26 VanDerWaalsContact O-N 3.11Å
23	Q	79	Confident	76	Confident	137 Å²	137	105.3 Å²	105.3	64%	0.64	51%	0.51	S	S	*	.	H	α-helix	trans	-69.4	-44.7	173.2	-73	-178.6	-8.6	0	0	112.4	G19 H20 I21 L25 K26 H27	G19-Q23 WeakPolarHBondContact O-CG 3.44Å; G19-Q23 PolarHBondContact O-N 3.05Å; H20-Q23 PolarHBondContact O-N 2.85Å; I21-Q23 VanDerWaalsContact C-N 3.3Å; I21-Q23 PolarHBondContact O-N 3.24Å; Q23-L25 PolarHBondContact O-N 3.13Å; Q23-K26 PolarHBondContact O-N 2.82Å; Q23-H27 WeakPolarHBondContact O-CB 3.43Å; Q23-H27 PolarHBondContact O-N 2.99Å
24	Q	80	Confident	77.5	Confident	101 Å²	101	103.9 Å²	103.9	47%	0.472	50%	0.503	S	S	.	.	H	α-helix	trans	-55.9	-47.9	175	-72.9	-78.5	1.5	0	0	111.6	H20 I21 H27 R28	H20-Q24 PolarHBondContact NE2-NE2 3.44Å; H20-Q24 VanDerWaalsContact O-CG 3.32Å; H20-Q24 WeakPolarHBondContact O-CG 3.39Å; H20-Q24 PolarHBondContact O-N 2.93Å; I21-Q24 PolarHBondContact O-N 3.07Å; Q24-H27 PolarHBondContact O-N 2.93Å; Q24-R28 WeakPolarHBondContact O-CB 3.41Å; Q24-R28 PolarHBondContact O-N 3.45Å
25	L	82.4	Confident	78.7	Confident	108 Å²	108	108 Å²	108	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-62.5	-46.2	177.4	-70.4	171.6	0	0	0	111.8	I21 Q23 H27 R28 D29	I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.33Å; I21-L25 WeakPolarHBondContact O-CB 3.41Å; I21-L25 WeakPolarHBondContact O-CG 3.45Å; I21-L25 PolarHBondContact O-N 3.46Å; Q23-L25 PolarHBondContact O-N 3.13Å; L25-H27 VanDerWaalsContact C-N 3.31Å; L25-H27 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 2.97Å; L25-D29 VanDerWaalsContact O-CB 3.28Å; L25-D29 WeakPolarHBondContact O-CB 3.48Å; L25-D29 PolarHBondContact O-N 3.47Å
26	K	83.6	Confident	79.8	Confident	131 Å²	131	108.4 Å²	108.4	57%	0.57	52%	0.519	S	S	*	.	H	α-helix	trans	-64.1	-32.2	176.4	-75.9	178.1	176.9	-177	0	113.4	I22 Q23 R30	I22-K26 HydrophobicContact CG2-CD 4.28Å; I22-K26 WeakPolarHBondContact O-CB 3.27Å; I22-K26 WeakPolarHBondContact O-CG 3.41Å; I22-K26 PolarHBondContact O-N 2.96Å; I22-K26 VanDerWaalsContact O-N 3.11Å; Q23-K26 PolarHBondContact O-N 2.82Å; K26-R30 WeakPolarHBondContact O-CD 3.39Å; K26-R30 VanDerWaalsContact O-CG 3.26Å; K26-R30 WeakPolarHBondContact O-CG 3.4Å; K26-R30 PolarHBondContact O-N 3.24Å
27	H	84.6	Confident	80.6	Confident	114 Å²	114	109.8 Å²	109.8	53%	0.528	52%	0.518	S	S	.	.	H	α-helix	trans	-71	-46.3	175.6	-177.6	57	0	0	0	111.2	Q23 Q24 L25 R30 I31	Q23-H27 WeakPolarHBondContact O-CB 3.43Å; Q23-H27 PolarHBondContact O-N 2.99Å; Q24-H27 PolarHBondContact O-N 2.93Å; L25-H27 VanDerWaalsContact C-N 3.31Å; L25-H27 PolarHBondContact O-N 3.47Å; H27-R30 PolarHBondContact O-N 3.09Å; H27-I31 WeakPolarHBondContact O-CG1 3.42Å; H27-I31 PolarHBondContact O-N 3.16Å
28	R	82.9	Confident	81.4	Confident	166 Å²	166	106.5 Å²	106.5	63%	0.626	51%	0.511	S	S	*	.	H	α-helix	trans	-61.4	-43.6	176	178.7	173.1	173.1	153.5	-0.2	112.5	Q24 L25 R30 I31 Q32	Q24-R28 WeakPolarHBondContact O-CB 3.41Å; Q24-R28 PolarHBondContact O-N 3.45Å; L25-R28 PolarHBondContact O-N 2.97Å; R28-R30 PolarHBondContact O-N 3.46Å; R28-I31 PolarHBondContact O-N 3.42Å; R28-Q32 HydrophobicContact CG-CG 4.46Å; R28-Q32 VanDerWaalsContact CG-OE1 3.32Å; R28-Q32 WeakPolarHBondContact O-CG 3.42Å; R28-Q32 PolarHBondContact O-N 3.25Å
29	D	88.1	Confident	81.9	Confident	103 Å²	103	105.1 Å²	105.1	55%	0.551	51%	0.514	S	S	*	.	H	α-helix	trans	-61.7	-41.2	177.5	-176	49.7	0	0	0	112.4	L25 Q32 S33	L25-D29 VanDerWaalsContact O-CB 3.28Å; L25-D29 WeakPolarHBondContact O-CB 3.48Å; L25-D29 PolarHBondContact O-N 3.47Å; D29-Q32 PolarHBondContact O-N 3.21Å; D29-S33 VanDerWaalsContact O-CB 3.31Å; D29-S33 WeakPolarHBondContact O-CB 3.42Å; D29-S33 PolarHBondContact O-N 3.27Å; D29-S33 PolarHBondContact O-OG 2.86Å
30	R	86.9	Confident	82	Confident	188 Å²	188	107.7 Å²	107.7	71%	0.709	52%	0.518	S	S	*	.	H	α-helix	trans	-61.8	-43.8	171.4	-74.5	170.7	177.3	-174	-2.1	112.7	K26 H27 R28 S33 A34	K26-R30 WeakPolarHBondContact O-CD 3.39Å; K26-R30 VanDerWaalsContact O-CG 3.26Å; K26-R30 WeakPolarHBondContact O-CG 3.4Å; K26-R30 PolarHBondContact O-N 3.24Å; H27-R30 PolarHBondContact O-N 3.09Å; R28-R30 PolarHBondContact O-N 3.46Å; R30-S33 PolarHBondContact O-N 3.07Å; R30-A34 WeakPolarHBondContact O-CB 3.43Å; R30-A34 PolarHBondContact O-N 3.06Å
31	I	83	Confident	82	Confident	78 Å²	78	110.1 Å²	110.1	40%	0.4	52%	0.524	S	S	.	.	H	α-helix	trans	-65.3	-45.1	178.2	-70.4	167.2	0	0	0	110.8	H27 R28 S33 A34 M35	H27-I31 WeakPolarHBondContact O-CG1 3.42Å; H27-I31 PolarHBondContact O-N 3.16Å; R28-I31 PolarHBondContact O-N 3.42Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 3.1Å; I31-A34 PolarHBondContact O-N 3.32Å; I31-M35 HydrophobicContact CG2-CE 4.12Å; I31-M35 HydrophobicContact CG2-SD 4.41Å; I31-M35 WeakPolarHBondContact O-CG 3.43Å; I31-M35 PolarHBondContact O-N 3.36Å
32	Q	80.9	Confident	82	Confident	98 Å²	98	113.8 Å²	113.8	46%	0.458	54%	0.537	S	S	.	.	H	α-helix	trans	-63.2	-39.7	176.7	-70.1	-172.4	-115.3	0	0	111.5	R28 D29 M35 F36	R28-Q32 HydrophobicContact CG-CG 4.46Å; R28-Q32 VanDerWaalsContact CG-OE1 3.32Å; R28-Q32 WeakPolarHBondContact O-CG 3.42Å; R28-Q32 PolarHBondContact O-N 3.25Å; D29-Q32 PolarHBondContact O-N 3.21Å; Q32-M35 HydrophobicContact CG-CE 4.25Å; Q32-F36 WeakPolarHBondContact O-CB 3.48Å; Q32-F36 PolarHBondContact O-N 2.96Å
33	S	83	Confident	81.7	Confident	58 Å²	58	115.9 Å²	115.9	41%	0.406	54%	0.539	S	S	.	.	H	α-helix	trans	-63	-42.7	173.9	-63.1	0	0	0	0	112.8	D29 R30 I31 F36 Q37	D29-S33 VanDerWaalsContact O-CB 3.31Å; D29-S33 WeakPolarHBondContact O-CB 3.42Å; D29-S33 PolarHBondContact O-N 3.27Å; D29-S33 PolarHBondContact O-OG 2.86Å; R30-S33 PolarHBondContact O-N 3.07Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 3.1Å; S33-F36 PolarHBondContact O-N 3.42Å; S33-Q37 WeakPolarHBondContact O-CG 3.49Å; S33-Q37 PolarHBondContact O-N 3.06Å
34	A	84.4	Confident	81.6	Confident	47 Å²	47	112.2 Å²	112.2	39%	0.388	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-49.5	177.4	0	0	0	0	0	111.8	R30 I31 F36 Q37 D38	R30-A34 WeakPolarHBondContact O-CB 3.43Å; R30-A34 PolarHBondContact O-N 3.06Å; I31-A34 PolarHBondContact O-N 3.32Å; A34-F36 PolarHBondContact O-N 3.15Å; A34-Q37 PolarHBondContact O-N 3.3Å; A34-Q37 VanDerWaalsContact O-N 3.08Å; A34-D38 PolarHBondContact O-N 2.96Å
35	M	79.9	Confident	81.4	Confident	115 Å²	115	108.4 Å²	108.4	57%	0.567	52%	0.515	S	S	*	.	H	α-helix	trans	-58.3	-35.1	175.7	-68.4	-171.2	-56.9	0	0	112.3	I31 Q32 L39	I31-M35 HydrophobicContact CG2-CE 4.12Å; I31-M35 HydrophobicContact CG2-SD 4.41Å; I31-M35 WeakPolarHBondContact O-CG 3.43Å; I31-M35 PolarHBondContact O-N 3.36Å; Q32-M35 HydrophobicContact CG-CE 4.25Å; M35-L39 WeakPolarHBondContact O-CB 3.38Å; M35-L39 PolarHBondContact O-N 2.89Å
36	F	79.9	Confident	81	Confident	133 Å²	133	108.3 Å²	108.3	58%	0.583	51%	0.514	S	S	*	.	H	α-helix	trans	-71.1	-37.2	176.7	-155.7	-97	0	0	0	112.3	Q32 S33 A34 L39 I40	Q32-F36 WeakPolarHBondContact O-CB 3.48Å; Q32-F36 PolarHBondContact O-N 2.96Å; S33-F36 PolarHBondContact O-N 3.42Å; A34-F36 PolarHBondContact O-N 3.15Å; F36-L39 PolarHBondContact O-N 3.29Å; F36-I40 HydrophobicContact CD1-CD1 3.69Å; F36-I40 HydrophobicContact CD1-CG1 4.33Å; F36-I40 HydrophobicContact CE1-CD1 3.83Å; F36-I40 HydrophobicContact CE1-CG1 4.36Å; F36-I40 VanDerWaalsContact O-CG1 3.29Å; F36-I40 WeakPolarHBondContact O-CG1 3.4Å; F36-I40 PolarHBondContact O-N 3.17Å
37	Q	81.7	Confident	80.2	Confident	128 Å²	128	106.7 Å²	106.7	60%	0.598	51%	0.511	S	S	*	.	H	α-helix	trans	-65.3	-41.1	172.6	-73.4	-176.3	3.5	0	0	112.2	S33 A34 I40 R41	S33-Q37 WeakPolarHBondContact O-CG 3.49Å; S33-Q37 PolarHBondContact O-N 3.06Å; A34-Q37 PolarHBondContact O-N 3.3Å; A34-Q37 VanDerWaalsContact O-N 3.08Å; Q37-I40 PolarHBondContact O-N 2.98Å; Q37-R41 WeakPolarHBondContact O-CB 3.46Å; Q37-R41 PolarHBondContact O-N 2.99Å
38	D	80.9	Confident	79.4	Confident	71 Å²	71	107 Å²	107	38%	0.38	51%	0.512	S	S	.	.	H	α-helix	trans	-68.4	-36.7	175.5	-75.6	-40.6	0	0	0	112.2	A34 I40 R41 F42	A34-D38 PolarHBondContact O-N 2.96Å; D38-I40 PolarHBondContact O-N 2.94Å; D38-R41 PolarHBondContact O-N 3.44Å; D38-R41 IonicContact OD1-CZ 3.83Å; D38-R41 IonicContact OD1-NH1 2.68Å; D38-R41 PolarHBondContact OD1-NH1 3.29Å; D38-F42 WeakPolarHBondContact O-CD2 3.43Å; D38-F42 PolarHBondContact O-N 3.27Å
39	L	82.3	Confident	78.7	Confident	115 Å²	115	106.4 Å²	106.4	60%	0.602	52%	0.515	S	S	*	.	H	α-helix	trans	-61	-43.6	172	-168.3	76.2	0	0	0	111.7	M35 F36 F42 Y43	M35-L39 WeakPolarHBondContact O-CB 3.38Å; M35-L39 PolarHBondContact O-N 2.89Å; F36-L39 PolarHBondContact O-N 3.29Å; L39-F42 PolarHBondContact O-N 3.23Å; L39-Y43 WeakPolarHBondContact O-CB 3.48Å; L39-Y43 PolarHBondContact O-N 2.98Å
40	I	80.5	Confident	77.3	Confident	88 Å²	88	104.6 Å²	104.6	45%	0.451	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-48.1	173.7	-70.5	163.8	0	0	0	110.4	F36 Q37 D38 F42 Y43 T44	F36-I40 HydrophobicContact CD1-CD1 3.69Å; F36-I40 HydrophobicContact CD1-CG1 4.33Å; F36-I40 HydrophobicContact CE1-CD1 3.83Å; F36-I40 HydrophobicContact CE1-CG1 4.36Å; F36-I40 VanDerWaalsContact O-CG1 3.29Å; F36-I40 WeakPolarHBondContact O-CG1 3.4Å; F36-I40 PolarHBondContact O-N 3.17Å; Q37-I40 PolarHBondContact O-N 2.98Å; D38-I40 PolarHBondContact O-N 2.94Å; I40-F42 VanDerWaalsContact C-N 3.33Å; I40-F42 PolarHBondContact O-N 3.11Å; I40-Y43 PolarHBondContact O-N 3.35Å; I40-T44 HydrophobicContact CG2-CG2 4.43Å; I40-T44 PolarHBondContact O-N 3.3Å; I40-T44 PolarHBondContact O-OG1 2.99Å
41	R	78.6	Confident	75.8	Confident	157 Å²	157	99.1 Å²	99.1	59%	0.592	50%	0.498	S	S	*	.	H	α-helix	trans	-62.3	-37.4	-179.6	-173.8	-175.7	-75.4	140	-9.3	112.4	Q37 D38 T44 G45	Q37-R41 WeakPolarHBondContact O-CB 3.46Å; Q37-R41 PolarHBondContact O-N 2.99Å; D38-R41 PolarHBondContact O-N 3.44Å; D38-R41 IonicContact OD1-CZ 3.83Å; D38-R41 IonicContact OD1-NH1 2.68Å; D38-R41 PolarHBondContact OD1-NH1 3.29Å; R41-T44 PolarHBondContact O-OG1 3.08Å; R41-T44 VanDerWaalsContact O-OG1 3.06Å; R41-G45 PolarHBondContact O-N 2.92Å; R41-G45 VanDerWaalsContact O-N 3.15Å
42	F	78.4	Confident	74.4	Confident	161 Å²	161	101.9 Å²	101.9	71%	0.706	51%	0.511	S	S	*	.	H	α-helix	trans	-64.8	-44.5	170	-98.3	-80.9	0	0	0	111.7	D38 L39 I40 G45 L46	D38-F42 WeakPolarHBondContact O-CD2 3.43Å; D38-F42 PolarHBondContact O-N 3.27Å; L39-F42 PolarHBondContact O-N 3.23Å; I40-F42 VanDerWaalsContact C-N 3.33Å; I40-F42 PolarHBondContact O-N 3.11Å; F42-G45 PolarHBondContact O-N 3.26Å; F42-L46 WeakPolarHBondContact O-CB 3.3Å; F42-L46 PolarHBondContact O-N 2.96Å
43	Y	74.3	Confident	73	Confident	136 Å²	136	100.7 Å²	100.7	53%	0.533	51%	0.51	S	S	.	.	H	α-helix	trans	-66.8	-38.9	-178.3	-158.8	-96.6	0	0	0	112.5	L39 I40 L46 L47	L39-Y43 WeakPolarHBondContact O-CB 3.48Å; L39-Y43 PolarHBondContact O-N 2.98Å; I40-Y43 PolarHBondContact O-N 3.35Å; Y43-L46 PolarHBondContact O-N 3.36Å; Y43-L47 HydrophobicContact CD1-CD1 3.79Å; Y43-L47 HydrophobicContact CD1-CG 4.33Å; Y43-L47 HydrophobicContact CE1-CD1 3.87Å; Y43-L47 HydrophobicContact CE1-CG 4.3Å; Y43-L47 WeakPolarHBondContact O-CG 3.29Å; Y43-L47 PolarHBondContact O-N 2.85Å
44	T	77.4	Confident	71.5	Confident	61 Å²	61	105.2 Å²	105.2	37%	0.374	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-44.5	172.8	54.8	0	0	0	0	111.5	I40 R41 L46 L47 E48	I40-T44 HydrophobicContact CG2-CG2 4.43Å; I40-T44 PolarHBondContact O-N 3.3Å; I40-T44 PolarHBondContact O-OG1 2.99Å; R41-T44 PolarHBondContact O-OG1 3.08Å; R41-T44 VanDerWaalsContact O-OG1 3.06Å; T44-L46 PolarHBondContact O-N 2.68Å; T44-L47 WeakPolarHBondContact O-CB 3.39Å; T44-L47 PolarHBondContact O-N 3.02Å; T44-L47 VanDerWaalsContact O-N 3.13Å; T44-E48 WeakPolarHBondContact O-CG 3.36Å; T44-E48 PolarHBondContact O-N 3.38Å
45	G	75.3	Confident	69.8	Low	21 Å²	21	105.4 Å²	105.4	22%	0.216	53%	0.529	C	S	.	.	H	α-helix	trans	-62.9	-26	174.8	0	0	0	0	0	114	R41 F42 K49	R41-G45 PolarHBondContact O-N 2.92Å; R41-G45 VanDerWaalsContact O-N 3.15Å; F42-G45 PolarHBondContact O-N 3.26Å; G45-K49 WeakPolarHBondContact O-CB 3.46Å; G45-K49 VanDerWaalsContact O-CG 3.27Å; G45-K49 WeakPolarHBondContact O-CG 3.35Å; G45-K49 PolarHBondContact O-N 3.33Å
46	L	73.8	Confident	68.3	Low	106 Å²	106	106.4 Å²	106.4	56%	0.555	54%	0.536	S	S	*	.	H	α-helix	trans	-80	-34.9	174.9	-141.7	153.2	0	0	0	111.7	F42 Y43 T44 T50	F42-L46 WeakPolarHBondContact O-CB 3.3Å; F42-L46 PolarHBondContact O-N 2.96Å; Y43-L46 PolarHBondContact O-N 3.36Å; T44-L46 PolarHBondContact O-N 2.68Å; L46-T50 HydrophobicContact CD2-CG2 4.35Å; L46-T50 WeakPolarHBondContact O-CB 3.33Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 3.44Å; L46-T50 PolarHBondContact O-OG1 3.45Å
47	L	67.3	Low	66.7	Low	97 Å²	97	106.5 Å²	106.5	51%	0.508	54%	0.542	S	S	.	.	H	α-helix	trans	-64.5	-44	168.6	-74.8	165.8	0	0	0	111.8	Y43 T44 T50 S51	Y43-L47 HydrophobicContact CD1-CD1 3.79Å; Y43-L47 HydrophobicContact CD1-CG 4.33Å; Y43-L47 HydrophobicContact CE1-CD1 3.87Å; Y43-L47 HydrophobicContact CE1-CG 4.3Å; Y43-L47 WeakPolarHBondContact O-CG 3.29Å; Y43-L47 PolarHBondContact O-N 2.85Å; T44-L47 WeakPolarHBondContact O-CB 3.39Å; T44-L47 PolarHBondContact O-N 3.02Å; T44-L47 VanDerWaalsContact O-N 3.13Å; L47-T50 WeakPolarHBondContact CA-OG1 3.3Å; L47-T50 CarbonylContact O-C 3.57Å; L47-T50 PolarHBondContact O-N 3.45Å; L47-T50 PolarHBondContact O-OG1 3.49Å; L47-T50 VanDerWaalsContact O-OG1 3.09Å; L47-S51 PolarHBondContact O-N 3.21Å; L47-S51 PolarHBondContact O-OG 3.24Å
48	E	68.8	Low	64.9	Low	119 Å²	119	105.1 Å²	105.1	56%	0.556	55%	0.547	S	S	*	.	H	α-helix	trans	-61.7	-48.5	175.9	-73.7	165.6	-171.6	0	0	111.1	T44 T50 S51 M52	T44-E48 WeakPolarHBondContact O-CG 3.36Å; T44-E48 PolarHBondContact O-N 3.38Å; E48-T50 VanDerWaalsContact C-N 3.29Å; E48-T50 PolarHBondContact O-N 3.07Å; E48-S51 WeakPolarHBondContact CA-OG 3.36Å; E48-S51 PolarHBondContact O-N 3.33Å; E48-S51 VanDerWaalsContact O-N 3.11Å; E48-S51 PolarHBondContact O-OG 2.92Å; E48-M52 WeakPolarHBondContact O-CG 3.25Å; E48-M52 PolarHBondContact O-N 3.46Å
49	K	67.8	Low	63.3	Low	155 Å²	155	106.7 Å²	106.7	67%	0.674	56%	0.563	S	S	*	*	H	α-helix	trans	-59.3	-36.3	174.2	-76.3	175.8	-179	-178.2	0	113.1	G45 M52 T53	G45-K49 WeakPolarHBondContact O-CB 3.46Å; G45-K49 VanDerWaalsContact O-CG 3.27Å; G45-K49 WeakPolarHBondContact O-CG 3.35Å; G45-K49 PolarHBondContact O-N 3.33Å; K49-M52 PolarHBondContact O-N 3.22Å; K49-T53 PolarHBondContact O-N 3.19Å; K49-T53 PolarHBondContact O-OG1 2.99Å
50	T	58.8	Low	61.1	Low	65 Å²	65	106.8 Å²	106.8	40%	0.399	57%	0.573	S	S	.	*	H	α-helix	trans	-80.6	-16.2	176.7	51.8	0	0	0	0	114.3	L46 L47 E48 T53 K54	L46-T50 HydrophobicContact CD2-CG2 4.35Å; L46-T50 WeakPolarHBondContact O-CB 3.33Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 3.44Å; L46-T50 PolarHBondContact O-OG1 3.45Å; L47-T50 WeakPolarHBondContact CA-OG1 3.3Å; L47-T50 CarbonylContact O-C 3.57Å; L47-T50 PolarHBondContact O-N 3.45Å; L47-T50 PolarHBondContact O-OG1 3.49Å; L47-T50 VanDerWaalsContact O-OG1 3.09Å; E48-T50 VanDerWaalsContact C-N 3.29Å; E48-T50 PolarHBondContact O-N 3.07Å; T50-T53 PolarHBondContact O-OG1 2.94Å; T50-K54 WeakPolarHBondContact O-CG 3.31Å
51	S	54.5	Low	59.4	Low	72 Å²	72	106.1 Å²	106.1	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-77.1	-38.6	161.8	60	0	0	0	0	112.5	L47 E48 K54 G55	L47-S51 PolarHBondContact O-N 3.21Å; L47-S51 PolarHBondContact O-OG 3.24Å; E48-S51 WeakPolarHBondContact CA-OG 3.36Å; E48-S51 PolarHBondContact O-N 3.33Å; E48-S51 VanDerWaalsContact O-N 3.11Å; E48-S51 PolarHBondContact O-OG 2.92Å; S51-K54 WeakPolarHBondContact O-CB 3.37Å; S51-K54 PolarHBondContact O-N 2.9Å; S51-G55 PolarHBondContact O-N 2.96Å
52	M	53.2	Low	57.3	Low	137 Å²	137	110.1 Å²	110.1	68%	0.675	60%	0.603	S	S	*	*	H	α-helix	trans	-62.7	-43.3	176.1	-70.3	-80.2	-80.4	0	0	111.9	E48 K49 K54 G55 L56	E48-M52 WeakPolarHBondContact O-CG 3.25Å; E48-M52 PolarHBondContact O-N 3.46Å; K49-M52 PolarHBondContact O-N 3.22Å; M52-K54 VanDerWaalsContact C-N 3.29Å; M52-K54 PolarHBondContact O-N 3.45Å; M52-G55 PolarHBondContact O-N 2.93Å; M52-L56 PolarHBondContact O-N 3.47Å; M52-L56 VanDerWaalsContact O-N 3.15Å
53	T	51.6	Low	56.3	Low	73 Å²	73	108 Å²	108	45%	0.448	61%	0.605	S	S	.	*	H	α-helix	trans	-66	-30.5	174.8	54.7	0	0	0	0	112.8	K49 T50 L56 L57	K49-T53 PolarHBondContact O-N 3.19Å; K49-T53 PolarHBondContact O-OG1 2.99Å; T50-T53 PolarHBondContact O-OG1 2.94Å; T53-L56 PolarHBondContact O-N 3.28Å; T53-L57 WeakPolarHBondContact O-CB 3.49Å; T53-L57 WeakPolarHBondContact O-CD1 3.49Å; T53-L57 VanDerWaalsContact O-CG 3.26Å; T53-L57 WeakPolarHBondContact O-CG 3.31Å; T53-L57 PolarHBondContact O-N 2.93Å
54	K	52	Low	55	Low	152 Å²	152	107 Å²	107	66%	0.661	62%	0.616	S	S	*	*	H	α-helix	trans	-67.8	-35.1	172	-78.7	179	175	179.8	0	113.2	T50 S51 M52 L56 L57 S58	T50-K54 WeakPolarHBondContact O-CG 3.31Å; S51-K54 WeakPolarHBondContact O-CB 3.37Å; S51-K54 PolarHBondContact O-N 2.9Å; M52-K54 VanDerWaalsContact C-N 3.29Å; M52-K54 PolarHBondContact O-N 3.45Å; K54-L56 VanDerWaalsContact C-N 3.31Å; K54-L57 PolarHBondContact O-N 3.36Å; K54-S58 PolarHBondContact O-N 2.98Å
55	G	50.1	Low	53.5	Low	51 Å²	51	108.9 Å²	108.9	53%	0.526	64%	0.637	S	S	.	*	H	α-helix	trans	-68.1	-27.5	172.3	0	0	0	0	0	113.9	S51 M52 S58	S51-G55 PolarHBondContact O-N 2.96Å; M52-G55 PolarHBondContact O-N 2.93Å; G55-S58 PolarHBondContact O-OG 2.83Å
56	L	48.1	Very low	52	Low	137 Å²	137	115.2 Å²	115.2	72%	0.717	66%	0.661	S	S	*	*	H	α-helix	trans	-84.5	-23.3	175.2	-71.5	166	0	0	0	113.4	M52 T53 K54	M52-L56 PolarHBondContact O-N 3.47Å; M52-L56 VanDerWaalsContact O-N 3.15Å; T53-L56 PolarHBondContact O-N 3.28Å; K54-L56 VanDerWaalsContact C-N 3.31Å
57	L	45.8	Very low	50.6	Low	135 Å²	135	113.6 Å²	113.6	71%	0.707	67%	0.67	S	S	*	*	H	α-helix	trans	-87.7	-6.2	179.5	-73.4	167.8	0	0	0	114	T53 K54 S59	T53-L57 WeakPolarHBondContact O-CB 3.49Å; T53-L57 WeakPolarHBondContact O-CD1 3.49Å; T53-L57 VanDerWaalsContact O-CG 3.26Å; T53-L57 WeakPolarHBondContact O-CG 3.31Å; T53-L57 PolarHBondContact O-N 2.93Å; K54-L57 PolarHBondContact O-N 3.36Å; L57-S59 PolarHBondContact O-N 3.24Å
58	S	44.4	Very low	49.5	Very low	99 Å²	99	113.5 Å²	113.5	69%	0.692	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	3.5	177.2	42.1	0	0	0	0	115.2	K54 G55	K54-S58 PolarHBondContact O-N 2.98Å; G55-S58 PolarHBondContact O-OG 2.83Å
59	S	46.5	Very low	48.5	Very low	104 Å²	104	110.2 Å²	110.2	73%	0.727	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.5	44.1	-176.9	66.3	0	0	0	0	115.1	L57	L57-S59 PolarHBondContact O-N 3.24Å
60	S	36.9	Very low	47.8	Very low	117 Å²	117	112 Å²	112	82%	0.818	67%	0.672	S	S	*	*	S	Bend	trans	-159.9	135.1	155.8	-171.6	0	0	0	0	110.8
61	G	43.4	Very low	47.5	Very low	73 Å²	73	111.8 Å²	111.8	75%	0.753	67%	0.673	S	S	*	*			trans	-105.2	113.9	-169.8	0	0	0	0	0	115
62	R	35.8	Very low	47.5	Very low	241 Å²	241	111.4 Å²	111.4	91%	0.909	67%	0.67	S	S	*	*			trans	-167.3	148.1	146.1	-109.2	174.8	176.9	-174.9	-1.5	110.9
63	P	57.5	Low	47.6	Very low	117 Å²	117	109.5 Å²	109.5	76%	0.76	66%	0.662	S	S	*	*			trans	-78.2	154.8	174.9	35.5	-36.2	0	0	0	111
64	P	47.2	Very low	47.9	Very low	116 Å²	116	112.9 Å²	112.9	75%	0.753	67%	0.673	S	S	*	*				-147.1	159.6	89.6	38.2	-21.5	0	0	0	117.3
65	A	45.4	Very low	48.3	Very low	100 Å²	100	112.2 Å²	112.2	83%	0.826	67%	0.672	S	S	*	*			trans	58.7	56.4	145.4	0	0	0	0	0	121.6
66	E	43.5	Very low	49.1	Very low	154 Å²	154	114.1 Å²	114.1	72%	0.72	67%	0.67	S	S	*	*			trans	-97.8	51.1	167	-70.7	-152.6	142.2	0	0	115
67	G	44.1	Very low	49.9	Very low	71 Å²	71	114.8 Å²	114.8	73%	0.732	67%	0.667	S	S	*	*	S	Bend	trans	-75.8	-40.4	175.4	0	0	0	0	0	114.4
68	C	43.2	Very low	51.3	Low	96 Å²	96	115.1 Å²	115.1	65%	0.649	66%	0.663	S	S	*	*	S	Bend	trans	-94.1	-27.3	-167.5	-161.6	0	0	0	0	114.1	R70 S71 S72	C68-R70 PolarHBondContact O-N 3.13Å; C68-S71 PolarHBondContact O-OG 2.75Å; C68-S71 VanDerWaalsContact O-OG 3.05Å; C68-S72 PolarHBondContact O-OG 2.95Å
69	A	49.5	Very low	52.8	Low	49 Å²	49	113.3 Å²	113.3	41%	0.405	65%	0.648	S	S	.	*	H	α-helix	trans	-66.7	-35.1	-173.2	0	0	0	0	0	113.8	L73	A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 PolarHBondContact O-N 3.26Å; A69-L73 VanDerWaalsContact O-N 3.13Å
70	R	51.7	Low	54.2	Low	193 Å²	193	112 Å²	112	73%	0.728	64%	0.635	S	S	*	*	H	α-helix	trans	-69.5	-41.6	-175	-96.5	177.7	165.9	167.3	-3.9	113.6	C68 L73 Q74	C68-R70 PolarHBondContact O-N 3.13Å; R70-L73 PolarHBondContact O-N 3.44Å; R70-Q74 WeakPolarHBondContact O-CG 3.48Å; R70-Q74 PolarHBondContact O-N 2.98Å; R70-Q74 VanDerWaalsContact O-N 3.13Å
71	S	53.8	Low	56.3	Low	60 Å²	60	108.3 Å²	108.3	42%	0.42	62%	0.616	S	S	.	*	H	α-helix	trans	-66	-47.3	177.3	49.8	0	0	0	0	110.9	C68 L73 Q74 Q75	C68-S71 PolarHBondContact O-OG 2.75Å; C68-S71 VanDerWaalsContact O-OG 3.05Å; S71-L73 VanDerWaalsContact C-N 3.29Å; S71-L73 PolarHBondContact O-N 3.43Å; S71-Q74 PolarHBondContact O-N 3.32Å; S71-Q74 VanDerWaalsContact O-N 3.15Å; S71-Q75 WeakPolarHBondContact O-CB 3.4Å; S71-Q75 PolarHBondContact O-N 3.45Å
72	S	52.9	Low	58.2	Low	65 Å²	65	109.1 Å²	109.1	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-55.7	-42	175.9	-52.7	0	0	0	0	112.4	C68 Q75 L76	C68-S72 PolarHBondContact O-OG 2.95Å; S72-Q75 PolarHBondContact O-N 2.84Å; S72-L76 WeakPolarHBondContact O-CB 3.36Å; S72-L76 PolarHBondContact O-N 2.92Å
73	L	55.6	Low	60.5	Low	96 Å²	96	102.8 Å²	102.8	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-68.4	-35.9	178.2	-115.5	166.1	0	0	0	113.5	A69 R70 S71 K77	A69-L73 WeakPolarHBondContact O-CB 3.36Å; A69-L73 PolarHBondContact O-N 3.26Å; A69-L73 VanDerWaalsContact O-N 3.13Å; R70-L73 PolarHBondContact O-N 3.44Å; S71-L73 VanDerWaalsContact C-N 3.29Å; S71-L73 PolarHBondContact O-N 3.43Å; L73-K77 WeakPolarHBondContact O-CG 3.26Å; L73-K77 PolarHBondContact O-N 3.29Å
74	Q	57.8	Low	61.7	Low	144 Å²	144	99.9 Å²	99.9	67%	0.673	57%	0.57	S	S	*	*	H	α-helix	trans	-69.5	-41.9	174.2	-74.8	177.6	-32.6	0	0	111.4	R70 S71 K77 K78	R70-Q74 WeakPolarHBondContact O-CG 3.48Å; R70-Q74 PolarHBondContact O-N 2.98Å; R70-Q74 VanDerWaalsContact O-N 3.13Å; S71-Q74 PolarHBondContact O-N 3.32Å; S71-Q74 VanDerWaalsContact O-N 3.15Å; Q74-K77 PolarHBondContact O-N 3.03Å; Q74-K78 PolarHBondContact O-N 3.04Å
75	Q	61.4	Low	63.5	Low	139 Å²	139	102.4 Å²	102.4	65%	0.65	57%	0.566	S	S	*	*	H	α-helix	trans	-65	-40.3	178.8	-165	164.3	-9.5	0	0	111.5	S71 S72 K78 T79	S71-Q75 WeakPolarHBondContact O-CB 3.4Å; S71-Q75 PolarHBondContact O-N 3.45Å; S72-Q75 PolarHBondContact O-N 2.84Å; Q75-K78 PolarHBondContact O-N 2.99Å; Q75-T79 PolarHBondContact O-N 3.05Å; Q75-T79 VanDerWaalsContact O-N 3.1Å; Q75-T79 PolarHBondContact O-OG1 3.42Å
76	L	65.7	Low	65.7	Low	90 Å²	90	103.2 Å²	103.2	47%	0.471	55%	0.55	S	S	.	*	H	α-helix	trans	-64.3	-38.2	173.6	-160.5	78.5	0	0	0	112.6	S72 K78 T79 T80	S72-L76 WeakPolarHBondContact O-CB 3.36Å; S72-L76 PolarHBondContact O-N 2.92Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.05Å; L76-T79 PolarHBondContact O-OG1 3.31Å; L76-T80 WeakPolarHBondContact O-CG2 3.32Å; L76-T80 PolarHBondContact O-N 2.99Å; L76-T80 VanDerWaalsContact O-N 3.07Å; L76-T80 PolarHBondContact O-OG1 3.36Å; L76-T80 VanDerWaalsContact O-OG1 3.09Å
77	K	66.4	Low	67.9	Low	152 Å²	152	100.2 Å²	100.2	66%	0.661	54%	0.542	S	S	*	.	H	α-helix	trans	-66.8	-31.6	174.7	-77.8	-177.9	175.8	-168.7	0	113	L73 Q74 T80 G81	L73-K77 WeakPolarHBondContact O-CG 3.26Å; L73-K77 PolarHBondContact O-N 3.29Å; Q74-K77 PolarHBondContact O-N 3.03Å; K77-T80 PolarHBondContact O-OG1 3.49Å; K77-G81 PolarHBondContact O-N 3.47Å
78	K	74.4	Confident	70.1	Confident	141 Å²	141	101.1 Å²	101.1	61%	0.613	53%	0.534	S	S	*	.	H	α-helix	trans	-69.7	-48.4	175	-172	176.9	176.2	-175.5	0	111	Q74 Q75 L76 T80 G81 E82	Q74-K78 PolarHBondContact O-N 3.04Å; Q75-K78 PolarHBondContact O-N 2.99Å; L76-K78 VanDerWaalsContact C-N 3.32Å; L76-K78 PolarHBondContact O-N 3.05Å; K78-T80 PolarHBondContact O-N 3.23Å; K78-G81 PolarHBondContact O-N 2.89Å; K78-E82 WeakPolarHBondContact CE-OE1 3.41Å; K78-E82 WeakPolarHBondContact O-CG 3.46Å; K78-E82 PolarHBondContact O-N 3.06Å
79	T	75.6	Confident	72.5	Confident	62 Å²	62	101 Å²	101	38%	0.38	52%	0.523	S	S	.	.	H	α-helix	trans	-67.6	-33.7	-179.1	56.4	0	0	0	0	113.2	Q75 L76 E82 L83	Q75-T79 PolarHBondContact O-N 3.05Å; Q75-T79 VanDerWaalsContact O-N 3.1Å; Q75-T79 PolarHBondContact O-OG1 3.42Å; L76-T79 PolarHBondContact O-OG1 3.31Å; T79-E82 PolarHBondContact O-N 3.21Å; T79-L83 WeakPolarHBondContact O-CB 3.32Å; T79-L83 VanDerWaalsContact O-CG 3.3Å; T79-L83 WeakPolarHBondContact O-CG 3.28Å; T79-L83 PolarHBondContact O-N 3.41Å
80	T	76.1	Confident	74.6	Confident	75 Å²	75	103.5 Å²	103.5	46%	0.46	53%	0.53	S	S	.	.	H	α-helix	trans	-68.4	-35.5	172.5	53.9	0	0	0	0	112.7	L76 K77 K78 L83 A84	L76-T80 WeakPolarHBondContact O-CG2 3.32Å; L76-T80 PolarHBondContact O-N 2.99Å; L76-T80 VanDerWaalsContact O-N 3.07Å; L76-T80 PolarHBondContact O-OG1 3.36Å; L76-T80 VanDerWaalsContact O-OG1 3.09Å; K77-T80 PolarHBondContact O-OG1 3.49Å; K78-T80 PolarHBondContact O-N 3.23Å; T80-L83 PolarHBondContact O-N 3.5Å; T80-A84 WeakPolarHBondContact O-CB 3.41Å; T80-A84 PolarHBondContact O-N 3.25Å
81	G	82.3	Confident	76.5	Confident	41 Å²	41	99.5 Å²	99.5	42%	0.423	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-44.6	171.3	0	0	0	0	0	113.1	K77 K78 L83 A84 Y85	K77-G81 PolarHBondContact O-N 3.47Å; K78-G81 PolarHBondContact O-N 2.89Å; G81-L83 VanDerWaalsContact C-N 3.34Å; G81-L83 PolarHBondContact O-N 3.46Å; G81-A84 PolarHBondContact O-N 2.93Å; G81-Y85 PolarHBondContact O-N 3.46Å
82	E	82.7	Confident	78.3	Confident	89 Å²	89	102.4 Å²	102.4	42%	0.416	53%	0.526	S	S	.	.	H	α-helix	trans	-63.5	-37.1	175.9	-71.3	170.6	-174.5	0	0	112.7	K78 T79 K86	K78-E82 WeakPolarHBondContact CE-OE1 3.41Å; K78-E82 WeakPolarHBondContact O-CG 3.46Å; K78-E82 PolarHBondContact O-N 3.06Å; T79-E82 PolarHBondContact O-N 3.21Å; E82-K86 WeakPolarHBondContact O-CG 3.3Å; E82-K86 PolarHBondContact O-N 2.87Å
83	L	84.6	Confident	80.3	Confident	108 Å²	108	103.1 Å²	103.1	57%	0.565	52%	0.522	S	S	*	.	H	α-helix	trans	-68.8	-42.7	173.4	-73.8	169.4	0	0	0	111.9	T79 T80 G81 Y85 K86 V87	T79-L83 WeakPolarHBondContact O-CB 3.32Å; T79-L83 VanDerWaalsContact O-CG 3.3Å; T79-L83 WeakPolarHBondContact O-CG 3.28Å; T79-L83 PolarHBondContact O-N 3.41Å; T80-L83 PolarHBondContact O-N 3.5Å; G81-L83 VanDerWaalsContact C-N 3.34Å; G81-L83 PolarHBondContact O-N 3.46Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 PolarHBondContact O-N 3.01Å; L83-K86 PolarHBondContact O-N 3.49Å; L83-V87 WeakPolarHBondContact O-CG2 3.42Å; L83-V87 PolarHBondContact O-N 3Å
84	A	82.1	Confident	82.1	Confident	56 Å²	56	102.9 Å²	102.9	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-60.6	-41.5	176.6	0	0	0	0	0	112	T80 G81 V87 V88	T80-A84 WeakPolarHBondContact O-CB 3.41Å; T80-A84 PolarHBondContact O-N 3.25Å; G81-A84 PolarHBondContact O-N 2.93Å; A84-V87 PolarHBondContact O-N 3.23Å; A84-V88 WeakPolarHBondContact O-CG2 3.33Å; A84-V88 PolarHBondContact O-N 3.47Å; A84-V88 VanDerWaalsContact O-N 3.11Å
85	Y	85.3	Confident	83.9	Confident	170 Å²	170	101.8 Å²	101.8	67%	0.667	51%	0.514	S	S	*	.	H	α-helix	trans	-59.6	-48.3	174.6	-171.7	-85.5	0	0	0	111.9	G81 L83 V87 V88 E89	G81-Y85 PolarHBondContact O-N 3.46Å; L83-Y85 VanDerWaalsContact C-N 3.33Å; L83-Y85 PolarHBondContact O-N 3.01Å; Y85-V87 VanDerWaalsContact C-N 3.3Å; Y85-V87 PolarHBondContact O-N 3Å; Y85-V88 PolarHBondContact O-N 2.99Å; Y85-V88 VanDerWaalsContact O-N 3.17Å; Y85-E89 PolarHBondContact O-N 3.35Å
86	K	91	Very high	85.5	Confident	117 Å²	117	99.6 Å²	99.6	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-61.3	-35.4	177.4	-72.8	172	-178.8	174	0	112.9	E82 L83 L90	E82-K86 WeakPolarHBondContact O-CG 3.3Å; E82-K86 PolarHBondContact O-N 2.87Å; L83-K86 PolarHBondContact O-N 3.49Å; K86-L90 WeakPolarHBondContact O-CB 3.44Å; K86-L90 VanDerWaalsContact O-CG 3.25Å; K86-L90 WeakPolarHBondContact O-CG 3.36Å; K86-L90 PolarHBondContact O-N 3.34Å
87	V	90.4	Very high	86.8	Confident	90 Å²	90	101.7 Å²	101.7	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-64.9	-44.6	174.7	170.4	0	0	0	0	111	L83 A84 Y85 L90 Q91	L83-V87 WeakPolarHBondContact O-CG2 3.42Å; L83-V87 PolarHBondContact O-N 3Å; A84-V87 PolarHBondContact O-N 3.23Å; Y85-V87 VanDerWaalsContact C-N 3.3Å; Y85-V87 PolarHBondContact O-N 3Å; V87-L90 PolarHBondContact O-N 2.96Å; V87-Q91 VanDerWaalsContact O-CB 3.3Å; V87-Q91 WeakPolarHBondContact O-CB 3.45Å; V87-Q91 PolarHBondContact O-N 2.87Å
88	V	90.7	Very high	88.2	Confident	91 Å²	91	99.5 Å²	99.5	55%	0.552	50%	0.503	S	S	*	.	H	α-helix	trans	-63.6	-44.3	176.8	174	0	0	0	0	111.3	A84 Y85 Q91 Q92	A84-V88 WeakPolarHBondContact O-CG2 3.33Å; A84-V88 PolarHBondContact O-N 3.47Å; A84-V88 VanDerWaalsContact O-N 3.11Å; Y85-V88 PolarHBondContact O-N 2.99Å; Y85-V88 VanDerWaalsContact O-N 3.17Å; V88-Q91 PolarHBondContact O-N 3.41Å; V88-Q92 WeakPolarHBondContact O-CB 3.27Å; V88-Q92 PolarHBondContact O-N 3Å
89	E	93.1	Very high	89.2	Confident	93 Å²	93	101.7 Å²	101.7	44%	0.435	51%	0.507	S	S	.	.	H	α-helix	trans	-59.8	-48.7	176.7	-175.8	-177.6	-177	0	0	112	Y85 Q91 Q92 Q93	Y85-E89 PolarHBondContact O-N 3.35Å; E89-Q91 VanDerWaalsContact C-N 3.34Å; E89-Q91 PolarHBondContact O-N 3.4Å; E89-Q92 PolarHBondContact O-N 3.31Å; E89-Q93 PolarHBondContact O-N 2.84Å
90	L	92.3	Very high	90.2	Very high	102 Å²	102	102.2 Å²	102.2	53%	0.534	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-40	176.4	-73.4	170.2	0	0	0	111.9	K86 V87 Q92 Q93 I94	K86-L90 WeakPolarHBondContact O-CB 3.44Å; K86-L90 VanDerWaalsContact O-CG 3.25Å; K86-L90 WeakPolarHBondContact O-CG 3.36Å; K86-L90 PolarHBondContact O-N 3.34Å; V87-L90 PolarHBondContact O-N 2.96Å; L90-Q92 VanDerWaalsContact C-N 3.31Å; L90-Q92 PolarHBondContact O-N 3.28Å; L90-Q93 PolarHBondContact O-N 2.82Å; L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 PolarHBondContact O-N 2.94Å
91	Q	91.7	Very high	91.1	Very high	108 Å²	108	103.4 Å²	103.4	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-68.6	-30.1	177.5	-162.4	174.2	23	0	0	112.3	V87 V88 E89 K95	V87-Q91 VanDerWaalsContact O-CB 3.3Å; V87-Q91 WeakPolarHBondContact O-CB 3.45Å; V87-Q91 PolarHBondContact O-N 2.87Å; V88-Q91 PolarHBondContact O-N 3.41Å; E89-Q91 VanDerWaalsContact C-N 3.34Å; E89-Q91 PolarHBondContact O-N 3.4Å; Q91-K95 WeakPolarHBondContact O-CG 3.34Å; Q91-K95 PolarHBondContact O-N 3.15Å
92	Q	93.1	Very high	91.8	Very high	121 Å²	121	107 Å²	107	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-70.2	-42.1	169.9	-174.4	170.1	-7.5	0	0	111.6	V88 E89 L90 I94 K95 I96	V88-Q92 WeakPolarHBondContact O-CB 3.27Å; V88-Q92 PolarHBondContact O-N 3Å; E89-Q92 PolarHBondContact O-N 3.31Å; L90-Q92 VanDerWaalsContact C-N 3.31Å; L90-Q92 PolarHBondContact O-N 3.28Å; Q92-I94 VanDerWaalsContact C-N 3.33Å; Q92-I94 PolarHBondContact O-N 3.11Å; Q92-K95 PolarHBondContact O-N 2.64Å; Q92-I96 HydrophobicContact CG-CD1 4.25Å; Q92-I96 WeakPolarHBondContact O-CG1 3.41Å; Q92-I96 PolarHBondContact O-N 2.67Å; Q92-I96 VanDerWaalsContact O-N 3.07Å
93	Q	94.1	Very high	92.4	Very high	80 Å²	80	107.3 Å²	107.3	37%	0.374	52%	0.52	S	S	.	.	H	α-helix	trans	-62.2	-37.8	173.4	-71.1	-164	23.6	0	0	112.9	E89 L90 I96 K97	E89-Q93 PolarHBondContact O-N 2.84Å; L90-Q93 PolarHBondContact O-N 2.82Å; Q93-I96 PolarHBondContact O-N 2.74Å; Q93-K97 WeakPolarHBondContact O-CG 3.42Å; Q93-K97 PolarHBondContact O-N 2.97Å
94	I	93.6	Very high	92.9	Very high	92 Å²	92	107.2 Å²	107.2	47%	0.472	52%	0.52	S	S	.	.	H	α-helix	trans	-60.3	-52.1	174.5	-71.8	164.2	0	0	0	109.9	L90 Q92 I96 K97 E98	L90-I94 WeakPolarHBondContact O-CG1 3.4Å; L90-I94 PolarHBondContact O-N 2.94Å; Q92-I94 VanDerWaalsContact C-N 3.33Å; Q92-I94 PolarHBondContact O-N 3.11Å; I94-I96 PolarHBondContact O-N 2.74Å; I94-K97 PolarHBondContact O-N 2.89Å; I94-E98 HydrophobicContact CG2-CG 4.23Å; I94-E98 WeakPolarHBondContact O-CG 3.47Å; I94-E98 PolarHBondContact O-N 3.3Å
95	K	95	Very high	93.5	Very high	121 Å²	121	109.7 Å²	109.7	53%	0.526	52%	0.522	S	S	.	.	H	α-helix	trans	-57.7	-34	177.8	-73.7	172.8	177.8	175.8	0	113.7	Q91 Q92 E98 R99	Q91-K95 WeakPolarHBondContact O-CG 3.34Å; Q91-K95 PolarHBondContact O-N 3.15Å; Q92-K95 PolarHBondContact O-N 2.64Å; K95-E98 WeakPolarHBondContact CA-OE2 3.38Å; K95-R99 WeakPolarHBondContact O-CG 3.49Å; K95-R99 PolarHBondContact O-N 3.17Å
96	I	94.9	Very high	94.1	Very high	93 Å²	93	105.7 Å²	105.7	48%	0.477	52%	0.515	S	S	.	.	H	α-helix	trans	-69.3	-47	174.4	-67.6	164.3	0	0	0	110.4	Q92 Q93 I94 E98 R99 V100	Q92-I96 HydrophobicContact CG-CD1 4.25Å; Q92-I96 WeakPolarHBondContact O-CG1 3.41Å; Q92-I96 PolarHBondContact O-N 2.67Å; Q92-I96 VanDerWaalsContact O-N 3.07Å; Q93-I96 PolarHBondContact O-N 2.74Å; I94-I96 PolarHBondContact O-N 2.74Å; I96-E98 VanDerWaalsContact C-N 3.34Å; I96-E98 PolarHBondContact O-N 2.69Å; I96-R99 PolarHBondContact O-N 3.43Å; I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.5Å; I96-V100 VanDerWaalsContact O-N 3.13Å
97	K	94.1	Very high	94.3	Very high	134 Å²	134	107.2 Å²	107.2	58%	0.583	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-36.4	178.5	-72.3	168.1	-178.1	166.7	0	112.4	Q93 I94 V100 L101	Q93-K97 WeakPolarHBondContact O-CG 3.42Å; Q93-K97 PolarHBondContact O-N 2.97Å; I94-K97 PolarHBondContact O-N 2.89Å; K97-V100 PolarHBondContact O-N 2.97Å; K97-L101 VanDerWaalsContact O-CB 3.31Å; K97-L101 WeakPolarHBondContact O-CB 3.01Å; K97-L101 PolarHBondContact O-N 3.02Å
98	E	95.8	Very high	94.6	Very high	105 Å²	105	109.2 Å²	109.2	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-45.2	174	-73.1	172.7	152.5	0	0	112.1	I94 K95 I96 L101 Q102	I94-E98 HydrophobicContact CG2-CG 4.23Å; I94-E98 WeakPolarHBondContact O-CG 3.47Å; I94-E98 PolarHBondContact O-N 3.3Å; K95-E98 WeakPolarHBondContact CA-OE2 3.38Å; I96-E98 VanDerWaalsContact C-N 3.34Å; I96-E98 PolarHBondContact O-N 2.69Å; E98-L101 PolarHBondContact O-N 2.94Å; E98-Q102 WeakPolarHBondContact O-CG 3.48Å; E98-Q102 PolarHBondContact O-N 3.45Å
99	R	95.8	Very high	94.8	Very high	188 Å²	188	112.2 Å²	112.2	71%	0.709	53%	0.532	S	S	*	.	H	α-helix	trans	-62.5	-45.6	175.9	-72.7	175.5	177	-174	-1.7	112.3	K95 I96 L101 Q102 E103	K95-R99 WeakPolarHBondContact O-CG 3.49Å; K95-R99 PolarHBondContact O-N 3.17Å; I96-R99 PolarHBondContact O-N 3.43Å; R99-L101 VanDerWaalsContact C-N 3.3Å; R99-L101 PolarHBondContact O-N 3.1Å; R99-Q102 PolarHBondContact O-N 3.26Å; R99-E103 PolarHBondContact O-N 3.04Å
100	V	96.3	Very high	95	Very high	73 Å²	73	114.8 Å²	114.8	44%	0.442	54%	0.542	S	S	.	.	H	α-helix	trans	-62.4	-39.6	177	174	0	0	0	0	110.9	I96 K97 E103 L104	I96-V100 WeakPolarHBondContact O-CG2 3.48Å; I96-V100 PolarHBondContact O-N 3.5Å; I96-V100 VanDerWaalsContact O-N 3.13Å; K97-V100 PolarHBondContact O-N 2.97Å; V100-E103 PolarHBondContact O-N 3.42Å; V100-L104 HydrophobicContact CG1-CD1 4.08Å; V100-L104 HydrophobicContact CG1-CG 4.45Å; V100-L104 VanDerWaalsContact O-CG 3.32Å; V100-L104 WeakPolarHBondContact O-CG 3.38Å; V100-L104 PolarHBondContact O-N 2.88Å
101	L	95	Very high	95.1	Very high	99 Å²	99	114.3 Å²	114.3	52%	0.518	54%	0.537	S	S	.	.	H	α-helix	trans	-66.6	-36.8	177.5	-171.4	146	0	0	0	112.2	K97 E98 R99 L104 Q105	K97-L101 VanDerWaalsContact O-CB 3.31Å; K97-L101 WeakPolarHBondContact O-CB 3.01Å; K97-L101 PolarHBondContact O-N 3.02Å; E98-L101 PolarHBondContact O-N 2.94Å; R99-L101 VanDerWaalsContact C-N 3.3Å; R99-L101 PolarHBondContact O-N 3.1Å; L101-L104 PolarHBondContact O-N 3.31Å; L101-Q105 HydrophobicContact CD2-CG 4.38Å; L101-Q105 VanDerWaalsContact O-CG 3.3Å; L101-Q105 WeakPolarHBondContact O-CG 3.32Å; L101-Q105 PolarHBondContact O-N 3.31Å
102	Q	95.6	Very high	95.3	Very high	117 Å²	117	111 Å²	111	55%	0.547	53%	0.532	S	S	.	.	H	α-helix	trans	-64.9	-43	171.7	-71.6	169.9	-1.3	0	0	112.1	E98 R99 L104 Q105 T106	E98-Q102 WeakPolarHBondContact O-CG 3.48Å; E98-Q102 PolarHBondContact O-N 3.45Å; R99-Q102 PolarHBondContact O-N 3.26Å; Q102-L104 PolarHBondContact O-N 2.94Å; Q102-Q105 PolarHBondContact O-N 3.17Å; Q102-T106 PolarHBondContact O-N 2.93Å
103	E	96.3	Very high	95.4	Very high	95 Å²	95	106.8 Å²	106.8	44%	0.444	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-40.6	175.9	-165.4	-166.4	153.2	0	0	111.9	R99 V100 Q105 T106 R107	R99-E103 PolarHBondContact O-N 3.04Å; V100-E103 PolarHBondContact O-N 3.42Å; E103-Q105 VanDerWaalsContact C-N 3.32Å; E103-Q105 PolarHBondContact O-N 3.42Å; E103-T106 PolarHBondContact O-N 3.29Å; E103-T106 PolarHBondContact O-OG1 2.81Å; E103-T106 VanDerWaalsContact O-OG1 3.05Å; E103-R107 WeakPolarHBondContact O-CB 3.43Å; E103-R107 VanDerWaalsContact O-CG 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.32Å; E103-R107 PolarHBondContact O-N 3.4Å; E103-R107 IonicContact OE1-CZ 3.71Å; E103-R107 IonicContact OE1-NE 3.49Å; E103-R107 PolarHBondContact OE1-NE 3.36Å; E103-R107 IonicContact OE1-NH2 3.02Å; E103-R107 PolarHBondContact OE1-NH2 3.06Å
104	L	94.9	Very high	95.4	Very high	106 Å²	106	109.5 Å²	109.5	56%	0.555	53%	0.528	S	S	*	.	H	α-helix	trans	-65.3	-34.8	175.1	-70.5	172.8	0	0	0	112.1	V100 L101 Q102 L108	V100-L104 HydrophobicContact CG1-CD1 4.08Å; V100-L104 HydrophobicContact CG1-CG 4.45Å; V100-L104 VanDerWaalsContact O-CG 3.32Å; V100-L104 WeakPolarHBondContact O-CG 3.38Å; V100-L104 PolarHBondContact O-N 2.88Å; L101-L104 PolarHBondContact O-N 3.31Å; Q102-L104 PolarHBondContact O-N 2.94Å; L104-L108 VanDerWaalsContact O-CB 3.27Å; L104-L108 WeakPolarHBondContact O-CB 3.27Å; L104-L108 PolarHBondContact O-N 2.82Å
105	Q	95.4	Very high	95.5	Very high	109 Å²	109	111.1 Å²	111.1	51%	0.509	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-44.2	174.6	-77.8	174.5	-16	0	0	112.5	L101 Q102 E103 L108 Q109	L101-Q105 HydrophobicContact CD2-CG 4.38Å; L101-Q105 VanDerWaalsContact O-CG 3.3Å; L101-Q105 WeakPolarHBondContact O-CG 3.32Å; L101-Q105 PolarHBondContact O-N 3.31Å; Q102-Q105 PolarHBondContact O-N 3.17Å; E103-Q105 VanDerWaalsContact C-N 3.32Å; E103-Q105 PolarHBondContact O-N 3.42Å; Q105-L108 PolarHBondContact O-N 3.45Å; Q105-Q109 PolarHBondContact O-N 2.88Å
106	T	96.7	Very high	95.5	Very high	86 Å²	86	107.8 Å²	107.8	53%	0.528	53%	0.532	S	S	.	.	H	α-helix	trans	-69	-38	177.9	58.9	0	0	0	0	112	Q102 E103 Q109 K110	Q102-T106 PolarHBondContact O-N 2.93Å; E103-T106 PolarHBondContact O-N 3.29Å; E103-T106 PolarHBondContact O-OG1 2.81Å; E103-T106 VanDerWaalsContact O-OG1 3.05Å; T106-Q109 PolarHBondContact O-N 3.15Å; T106-K110 PolarHBondContact O-N 3.33Å
107	R	96.6	Very high	95.6	Very high	149 Å²	149	109.5 Å²	109.5	56%	0.562	54%	0.538	S	S	*	.	H	α-helix	trans	-59.5	-45.9	170.4	-75.1	177	176.9	-144.7	2.9	112	E103 Q109 K110 E111	E103-R107 WeakPolarHBondContact O-CB 3.43Å; E103-R107 VanDerWaalsContact O-CG 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.32Å; E103-R107 PolarHBondContact O-N 3.4Å; E103-R107 IonicContact OE1-CZ 3.71Å; E103-R107 IonicContact OE1-NE 3.49Å; E103-R107 PolarHBondContact OE1-NE 3.36Å; E103-R107 IonicContact OE1-NH2 3.02Å; E103-R107 PolarHBondContact OE1-NH2 3.06Å; R107-Q109 PolarHBondContact O-N 3.23Å; R107-K110 PolarHBondContact O-N 3.03Å; R107-E111 PolarHBondContact O-N 2.82Å
108	L	95.6	Very high	95.5	Very high	132 Å²	132	105.9 Å²	105.9	69%	0.691	53%	0.533	S	S	*	.	H	α-helix	trans	-63.6	-39.3	178.9	-176.6	63.5	0	0	0	112.2	L104 Q105 G112	L104-L108 VanDerWaalsContact O-CB 3.27Å; L104-L108 WeakPolarHBondContact O-CB 3.27Å; L104-L108 PolarHBondContact O-N 2.82Å; Q105-L108 PolarHBondContact O-N 3.45Å; L108-G112 PolarHBondContact O-N 2.9Å
109	Q	95.5	Very high	95.5	Very high	153 Å²	153	104.2 Å²	104.2	72%	0.715	53%	0.533	S	S	*	.	H	α-helix	trans	-64.4	-42.3	173.2	-75.4	-175.7	-16.9	0	0	112.2	Q105 T106 R107 G112 G113	Q105-Q109 PolarHBondContact O-N 2.88Å; T106-Q109 PolarHBondContact O-N 3.15Å; R107-Q109 PolarHBondContact O-N 3.23Å; Q109-G112 PolarHBondContact O-N 3.34Å; Q109-G113 PolarHBondContact O-N 3.22Å
110	K	96.2	Very high	95.5	Very high	147 Å²	147	100.9 Å²	100.9	64%	0.639	53%	0.525	S	S	*	.	H	α-helix	trans	-62.1	-47.5	178	-176	175	179.8	178.3	0	112.2	T106 R107 G112 G113 R114	T106-K110 PolarHBondContact O-N 3.33Å; R107-K110 PolarHBondContact O-N 3.03Å; K110-G112 VanDerWaalsContact C-N 3.32Å; K110-G112 PolarHBondContact O-N 2.85Å; K110-G113 PolarHBondContact O-N 2.81Å; K110-R114 WeakPolarHBondContact O-CG 3.32Å; K110-R114 PolarHBondContact O-N 2.88Å; K110-R114 VanDerWaalsContact O-N 3.1Å
111	E	94.4	Very high	95.4	Very high	93 Å²	93	100 Å²	100	44%	0.435	53%	0.525	S	S	.	.	H	α-helix	trans	-69.7	-30.3	177.4	-63.8	-54.4	125.3	0	0	112.3	R107 R114 L115	R107-E111 PolarHBondContact O-N 2.82Å; E111-R114 PolarHBondContact O-N 3.31Å; E111-R114 WeakPolarHBondContact OE1-CD 3.31Å; E111-R114 IonicContact OE1-CZ 3.96Å; E111-R114 IonicContact OE1-NE 2.75Å; E111-R114 IonicContact OE1-NH1 4Å; E111-R114 PolarHBondContact OE1-NH1 3.23Å; E111-R114 IonicContact OE2-CZ 2.95Å; E111-R114 IonicContact OE2-NE 3.17Å; E111-R114 IonicContact OE2-NH1 3.63Å; E111-R114 PolarHBondContact OE2-NH1 2.67Å; E111-L115 WeakPolarHBondContact O-CB 3.33Å; E111-L115 PolarHBondContact O-N 2.97Å
112	G	96.1	Very high	95.4	Very high	38 Å²	38	103.1 Å²	103.1	39%	0.392	54%	0.535	S	S	.	.	H	α-helix	trans	-61.7	-40.7	169.3	0	0	0	0	0	113.3	L108 Q109 K110 L115 A116	L108-G112 PolarHBondContact O-N 2.9Å; Q109-G112 PolarHBondContact O-N 3.34Å; K110-G112 VanDerWaalsContact C-N 3.32Å; K110-G112 PolarHBondContact O-N 2.85Å; G112-L115 PolarHBondContact O-N 3.26Å; G112-A116 PolarHBondContact O-N 2.87Å; G112-A116 VanDerWaalsContact O-N 3.09Å
113	G	95.2	Very high	95.4	Very high	32 Å²	32	105.1 Å²	105.1	33%	0.33	54%	0.537	S	S	.	.	H	α-helix	trans	-62.8	-49.3	173.1	0	0	0	0	0	112.4	Q109 K110 L115 A116 E117	Q109-G113 PolarHBondContact O-N 3.22Å; K110-G113 PolarHBondContact O-N 2.81Å; G113-L115 VanDerWaalsContact C-N 3.27Å; G113-L115 PolarHBondContact O-N 2.87Å; G113-A116 WeakPolarHBondContact O-CA 3.41Å; G113-A116 WeakPolarHBondContact O-CB 3.48Å; G113-A116 PolarHBondContact O-N 2.73Å; G113-E117 WeakPolarHBondContact O-CG 3.49Å; G113-E117 PolarHBondContact O-N 3.19Å
114	R	94.9	Very high	95.4	Very high	137 Å²	137	103.4 Å²	103.4	52%	0.517	54%	0.539	S	S	.	.	H	α-helix	trans	-59.5	-36.1	176.7	-65.4	174.4	72.6	-157	-0.8	112.7	K110 E111 A118	K110-R114 WeakPolarHBondContact O-CG 3.32Å; K110-R114 PolarHBondContact O-N 2.88Å; K110-R114 VanDerWaalsContact O-N 3.1Å; E111-R114 PolarHBondContact O-N 3.31Å; E111-R114 WeakPolarHBondContact OE1-CD 3.31Å; E111-R114 IonicContact OE1-CZ 3.96Å; E111-R114 IonicContact OE1-NE 2.75Å; E111-R114 IonicContact OE1-NH1 4Å; E111-R114 PolarHBondContact OE1-NH1 3.23Å; E111-R114 IonicContact OE2-CZ 2.95Å; E111-R114 IonicContact OE2-NE 3.17Å; E111-R114 IonicContact OE2-NH1 3.63Å; E111-R114 PolarHBondContact OE2-NH1 2.67Å; R114-A118 VanDerWaalsContact O-CB 3.3Å; R114-A118 WeakPolarHBondContact O-CB 3.38Å; R114-A118 PolarHBondContact O-N 2.96Å
115	L	95.1	Very high	95.4	Very high	127 Å²	127	103.4 Å²	103.4	67%	0.665	54%	0.539	S	S	*	.	H	α-helix	trans	-68	-37	174.7	-176.5	63.4	0	0	0	112.1	E111 G112 G113 S119	E111-L115 WeakPolarHBondContact O-CB 3.33Å; E111-L115 PolarHBondContact O-N 2.97Å; G112-L115 PolarHBondContact O-N 3.26Å; G113-L115 VanDerWaalsContact C-N 3.27Å; G113-L115 PolarHBondContact O-N 2.87Å; L115-S119 WeakPolarHBondContact O-CB 3.08Å; L115-S119 PolarHBondContact O-N 3.27Å
116	A	95.6	Very high	95.5	Very high	50 Å²	50	100.1 Å²	100.1	41%	0.413	53%	0.534	S	S	.	.	H	α-helix	trans	-65.2	-51.2	174.5	0	0	0	0	0	111.1	G112 G113 A118 S119 E120	G112-A116 PolarHBondContact O-N 2.87Å; G112-A116 VanDerWaalsContact O-N 3.09Å; G113-A116 WeakPolarHBondContact O-CA 3.41Å; G113-A116 WeakPolarHBondContact O-CB 3.48Å; G113-A116 PolarHBondContact O-N 2.73Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 3.42Å; A116-S119 WeakPolarHBondContact O-CA 3.47Å; A116-S119 WeakPolarHBondContact O-CB 3.4Å; A116-S119 PolarHBondContact O-N 3.11Å; A116-S119 PolarHBondContact O-OG 3.41Å; A116-E120 PolarHBondContact O-N 3.33Å
117	E	95.8	Very high	95.4	Very high	129 Å²	129	100.9 Å²	100.9	60%	0.603	54%	0.535	S	S	*	.	H	α-helix	trans	-52.5	-48.7	174.8	-68.5	165.9	-177.8	0	0	111.6	G113 S119 E120 A121	G113-E117 WeakPolarHBondContact O-CG 3.49Å; G113-E117 PolarHBondContact O-N 3.19Å; E117-S119 VanDerWaalsContact C-N 3.3Å; E117-S119 PolarHBondContact O-N 3.33Å; E117-E120 PolarHBondContact O-N 3.48Å; E117-A121 PolarHBondContact O-N 2.78Å
118	A	93.1	Very high	95.4	Very high	58 Å²	58	99.4 Å²	99.4	48%	0.479	54%	0.535	S	S	.	.	H	α-helix	trans	-64.2	-32.7	177.2	0	0	0	0	0	113	R114 A116 K122	R114-A118 VanDerWaalsContact O-CB 3.3Å; R114-A118 WeakPolarHBondContact O-CB 3.38Å; R114-A118 PolarHBondContact O-N 2.96Å; A116-A118 VanDerWaalsContact C-N 3.33Å; A116-A118 PolarHBondContact O-N 3.42Å; A118-K122 VanDerWaalsContact O-CB 3.27Å; A118-K122 WeakPolarHBondContact O-CB 3.2Å; A118-K122 PolarHBondContact O-N 3.35Å
119	S	95.4	Very high	95.4	Very high	70 Å²	70	96.5 Å²	96.5	49%	0.49	52%	0.523	S	S	.	.	H	α-helix	trans	-71.3	-35	176.3	80	0	0	0	0	112.7	L115 A116 E117 R123	L115-S119 WeakPolarHBondContact O-CB 3.08Å; L115-S119 PolarHBondContact O-N 3.27Å; A116-S119 WeakPolarHBondContact O-CA 3.47Å; A116-S119 WeakPolarHBondContact O-CB 3.4Å; A116-S119 PolarHBondContact O-N 3.11Å; A116-S119 PolarHBondContact O-OG 3.41Å; E117-S119 VanDerWaalsContact C-N 3.3Å; E117-S119 PolarHBondContact O-N 3.33Å; S119-R123 PolarHBondContact O-N 2.98Å; S119-R123 VanDerWaalsContact O-N 3.09Å
120	E	96.4	Very high	95.5	Very high	119 Å²	119	92.1 Å²	92.1	56%	0.556	50%	0.502	S	S	*	.	H	α-helix	trans	-73.4	-42.9	175.5	-67.4	-166.6	156.6	0	0	111.6	A116 E117 K122 R123 A124	A116-E120 PolarHBondContact O-N 3.33Å; E117-E120 PolarHBondContact O-N 3.48Å; E120-K122 VanDerWaalsContact C-N 3.32Å; E120-K122 PolarHBondContact O-N 3.38Å; E120-R123 WeakPolarHBondContact O-CB 3.43Å; E120-R123 PolarHBondContact O-N 2.69Å; E120-R123 VanDerWaalsContact O-N 3.11Å; E120-A124 PolarHBondContact O-N 2.98Å
121	A	94.6	Very high	95.5	Very high	53 Å²	53	90 Å²	90	44%	0.438	50%	0.495	S	S	.	.	H	α-helix	trans	-58.9	-42.7	172.4	0	0	0	0	0	111.8	E117 R123 A124 L125	E117-A121 PolarHBondContact O-N 2.78Å; A121-R123 VanDerWaalsContact C-N 3.31Å; A121-R123 PolarHBondContact O-N 2.99Å; A121-A124 PolarHBondContact O-N 3.09Å; A121-L125 WeakPolarHBondContact O-CG 3.16Å; A121-L125 PolarHBondContact O-N 3.33Å
122	K	94.3	Very high	95.6	Very high	166 Å²	166	88.6 Å²	88.6	72%	0.722	49%	0.492	S	S	*	.	H	α-helix	trans	-61.8	-36.2	174.4	179.8	175.1	178.3	177.7	0	112.7	A118 E120 G126	A118-K122 VanDerWaalsContact O-CB 3.27Å; A118-K122 WeakPolarHBondContact O-CB 3.2Å; A118-K122 PolarHBondContact O-N 3.35Å; E120-K122 VanDerWaalsContact C-N 3.32Å; E120-K122 PolarHBondContact O-N 3.38Å; K122-G126 PolarHBondContact O-N 3.46Å; K122-G126 VanDerWaalsContact O-N 3.14Å
123	R	95.8	Very high	95.5	Very high	159 Å²	159	93.3 Å²	93.3	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-67.4	-49.8	175.5	179.6	172.1	61.6	106.5	-3.9	111.2	S119 E120 A121 L125 G126 D127	S119-R123 PolarHBondContact O-N 2.98Å; S119-R123 VanDerWaalsContact O-N 3.09Å; E120-R123 WeakPolarHBondContact O-CB 3.43Å; E120-R123 PolarHBondContact O-N 2.69Å; E120-R123 VanDerWaalsContact O-N 3.11Å; A121-R123 VanDerWaalsContact C-N 3.31Å; A121-R123 PolarHBondContact O-N 2.99Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-L125 PolarHBondContact O-N 3.41Å; R123-G126 WeakPolarHBondContact O-CA 3.34Å; R123-G126 PolarHBondContact O-N 2.99Å; R123-D127 PolarHBondContact O-N 3.43Å
124	A	96	Very high	95.6	Very high	59 Å²	59	97.1 Å²	97.1	49%	0.488	51%	0.507	S	S	.	.	H	α-helix	trans	-58.3	-43.5	179.2	0	0	0	0	0	112.5	E120 A121 G126 D127 E128	E120-A124 PolarHBondContact O-N 2.98Å; A121-A124 PolarHBondContact O-N 3.09Å; A124-G126 VanDerWaalsContact C-N 3.3Å; A124-G126 PolarHBondContact O-N 3Å; A124-D127 PolarHBondContact O-N 2.94Å; A124-E128 PolarHBondContact O-N 3.33Å
125	L	94.9	Very high	95.7	Very high	105 Å²	105	95.7 Å²	95.7	55%	0.55	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-33.6	173.3	-73	167.6	0	0	0	112.7	A121 R123 V129	A121-L125 WeakPolarHBondContact O-CG 3.16Å; A121-L125 PolarHBondContact O-N 3.33Å; R123-L125 VanDerWaalsContact C-N 3.34Å; R123-L125 PolarHBondContact O-N 3.41Å; L125-V129 WeakPolarHBondContact O-CB 3.03Å; L125-V129 VanDerWaalsContact O-CG2 3.23Å; L125-V129 WeakPolarHBondContact O-CG2 3.37Å; L125-V129 PolarHBondContact O-N 3.02Å
126	G	96.4	Very high	95.6	Very high	40 Å²	40	94 Å²	94	41%	0.412	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-43.6	173.7	0	0	0	0	0	112.8	K122 R123 A124 V129 E130	K122-G126 PolarHBondContact O-N 3.46Å; K122-G126 VanDerWaalsContact O-N 3.14Å; R123-G126 WeakPolarHBondContact O-CA 3.34Å; R123-G126 PolarHBondContact O-N 2.99Å; A124-G126 VanDerWaalsContact C-N 3.3Å; A124-G126 PolarHBondContact O-N 3Å; G126-V129 PolarHBondContact O-N 2.98Å; G126-E130 PolarHBondContact O-N 2.84Å
127	D	96.4	Very high	95.6	Very high	102 Å²	102	97.8 Å²	97.8	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-40.9	177.3	-63	-34.6	0	0	0	111.2	R123 A124 Q131	R123-D127 PolarHBondContact O-N 3.43Å; A124-D127 PolarHBondContact O-N 2.94Å; D127-Q131 PolarHBondContact O-N 2.86Å
128	E	96.8	Very high	95.7	Very high	119 Å²	119	96.2 Å²	96.2	56%	0.556	50%	0.503	S	S	*	.	H	α-helix	trans	-63.9	-46	174	-175.9	173.7	-158	0	0	112.2	A124 E130 Q131 V132	A124-E128 PolarHBondContact O-N 3.33Å; E128-E130 VanDerWaalsContact C-N 3.34Å; E128-E130 PolarHBondContact O-N 3.47Å; E128-Q131 WeakPolarHBondContact O-CB 3.37Å; E128-Q131 PolarHBondContact O-N 3.1Å; E128-Q131 VanDerWaalsContact O-N 3.15Å; E128-V132 WeakPolarHBondContact O-CG2 3.49Å; E128-V132 PolarHBondContact O-N 3.27Å
129	V	95.4	Very high	95.8	Very high	71 Å²	71	98.9 Å²	98.9	43%	0.43	51%	0.509	S	S	.	.	H	α-helix	trans	-60.2	-40.8	177.8	164	0	0	0	0	111.8	L125 G126 V132 R133	L125-V129 WeakPolarHBondContact O-CB 3.03Å; L125-V129 VanDerWaalsContact O-CG2 3.23Å; L125-V129 WeakPolarHBondContact O-CG2 3.37Å; L125-V129 PolarHBondContact O-N 3.02Å; G126-V129 PolarHBondContact O-N 2.98Å; V129-V132 PolarHBondContact O-N 2.86Å; V129-R133 VanDerWaalsContact O-CG 3.27Å; V129-R133 WeakPolarHBondContact O-CG 3.32Å; V129-R133 PolarHBondContact O-N 3.23Å
130	E	96.1	Very high	95.8	Very high	61 Å²	61	102 Å²	102	29%	0.285	51%	0.513	S	S	.	.	H	α-helix	trans	-73	-31.4	176.4	-163.2	57.5	-140.1	0	0	112.3	G126 E128 R133 Q134 K137	G126-E130 PolarHBondContact O-N 2.84Å; E128-E130 VanDerWaalsContact C-N 3.34Å; E128-E130 PolarHBondContact O-N 3.47Å; E130-R133 PolarHBondContact O-N 2.62Å; E130-R133 WeakPolarHBondContact OE2-CD 3.47Å; E130-R133 IonicContact OE2-CZ 3.58Å; E130-R133 IonicContact OE2-NE 2.67Å; E130-R133 IonicContact OE2-NH1 3.43Å; E130-R133 PolarHBondContact OE2-NH1 2.9Å; E130-Q134 VanDerWaalsContact O-CG 3.31Å; E130-Q134 WeakPolarHBondContact O-CG 3.36Å; E130-Q134 PolarHBondContact O-N 2.82Å; E130-K137 IonicContact OE1-NZ 3.6Å; E130-K137 PolarHBondContact OE1-NZ 2.94Å
131	Q	97.4	Very high	95.8	Very high	103 Å²	103	99.3 Å²	99.3	48%	0.481	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-42.6	170.3	-163.2	-161.6	86.6	0	0	111.8	D127 E128 Q134 K135	D127-Q131 PolarHBondContact O-N 2.86Å; E128-Q131 WeakPolarHBondContact O-CB 3.37Å; E128-Q131 PolarHBondContact O-N 3.1Å; E128-Q131 VanDerWaalsContact O-N 3.15Å; Q131-Q134 PolarHBondContact O-N 3.24Å; Q131-K135 WeakPolarHBondContact O-CG 3.47Å; Q131-K135 PolarHBondContact O-N 2.93Å
132	V	95.3	Very high	95.9	Very high	62 Å²	62	99.8 Å²	99.8	38%	0.376	52%	0.515	S	S	.	.	H	α-helix	trans	-64.9	-41.4	174.8	172.8	0	0	0	0	111	E128 V129 Q134 K135 N136	E128-V132 WeakPolarHBondContact O-CG2 3.49Å; E128-V132 PolarHBondContact O-N 3.27Å; V129-V132 PolarHBondContact O-N 2.86Å; V132-Q134 VanDerWaalsContact C-N 3.33Å; V132-Q134 PolarHBondContact O-N 2.91Å; V132-K135 PolarHBondContact O-N 3.33Å; V132-N136 WeakPolarHBondContact O-CB 3.29Å; V132-N136 VanDerWaalsContact O-CG 3.31Å; V132-N136 PolarHBondContact O-N 2.75Å
133	R	94.8	Very high	95.9	Very high	138 Å²	138	98.8 Å²	98.8	52%	0.521	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-38.9	173.6	-74.5	165	169.4	-176.8	-0.4	112.7	V129 E130 N136 K137	V129-R133 VanDerWaalsContact O-CG 3.27Å; V129-R133 WeakPolarHBondContact O-CG 3.32Å; V129-R133 PolarHBondContact O-N 3.23Å; E130-R133 PolarHBondContact O-N 2.62Å; E130-R133 WeakPolarHBondContact OE2-CD 3.47Å; E130-R133 IonicContact OE2-CZ 3.58Å; E130-R133 IonicContact OE2-NE 2.67Å; E130-R133 IonicContact OE2-NH1 3.43Å; E130-R133 PolarHBondContact OE2-NH1 2.9Å; R133-N136 PolarHBondContact O-N 3.41Å; R133-K137 WeakPolarHBondContact O-CD 3.44Å; R133-K137 VanDerWaalsContact O-CG 3.23Å; R133-K137 WeakPolarHBondContact O-CG 3.12Å; R133-K137 PolarHBondContact O-N 3.47Å
134	Q	97.2	Very high	95.9	Very high	112 Å²	112	94.3 Å²	94.3	52%	0.523	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-44.9	175	-71.9	173.9	23.9	0	0	111.8	E130 Q131 V132 N136 K137 T138	E130-Q134 VanDerWaalsContact O-CG 3.31Å; E130-Q134 WeakPolarHBondContact O-CG 3.36Å; E130-Q134 PolarHBondContact O-N 2.82Å; Q131-Q134 PolarHBondContact O-N 3.24Å; V132-Q134 VanDerWaalsContact C-N 3.33Å; V132-Q134 PolarHBondContact O-N 2.91Å; Q134-N136 VanDerWaalsContact C-N 3.33Å; Q134-N136 PolarHBondContact O-N 2.84Å; Q134-K137 WeakPolarHBondContact O-CB 3.3Å; Q134-K137 PolarHBondContact O-N 2.88Å; Q134-T138 PolarHBondContact O-N 2.93Å; Q134-T138 VanDerWaalsContact O-N 3.09Å
135	K	96.6	Very high	96	Very high	107 Å²	107	93.5 Å²	93.5	47%	0.465	49%	0.489	S	S	.	.	H	α-helix	trans	-59.5	-41	173.2	-70.7	165.6	172.3	172.5	0	112.2	Q131 V132 T138 L139	Q131-K135 WeakPolarHBondContact O-CG 3.47Å; Q131-K135 PolarHBondContact O-N 2.93Å; V132-K135 PolarHBondContact O-N 3.33Å; K135-T138 PolarHBondContact O-N 2.91Å; K135-T138 PolarHBondContact O-OG1 2.85Å; K135-L139 WeakPolarHBondContact O-CB 3.32Å; K135-L139 WeakPolarHBondContact O-CG 3.47Å; K135-L139 PolarHBondContact O-N 2.92Å
136	N	93.6	Very high	96	Very high	92 Å²	92	93.8 Å²	93.8	49%	0.492	49%	0.49	S	S	.	.	H	α-helix	trans	-69.5	-34.3	177.6	-70.5	-5.4	0	0	0	112.4	V132 R133 Q134 K140	V132-N136 WeakPolarHBondContact O-CB 3.29Å; V132-N136 VanDerWaalsContact O-CG 3.31Å; V132-N136 PolarHBondContact O-N 2.75Å; R133-N136 PolarHBondContact O-N 3.41Å; Q134-N136 VanDerWaalsContact C-N 3.33Å; Q134-N136 PolarHBondContact O-N 2.84Å; N136-K140 WeakPolarHBondContact O-CB 3.4Å; N136-K140 PolarHBondContact O-N 2.87Å
137	K	95.8	Very high	95.9	Very high	128 Å²	128	94 Å²	94	56%	0.557	48%	0.482	S	S	*	.	H	α-helix	trans	-62.5	-43.9	172.1	-72.5	160.6	-174.5	165.5	0	111.5	E130 R133 Q134 A141	E130-K137 IonicContact OE1-NZ 3.6Å; E130-K137 PolarHBondContact OE1-NZ 2.94Å; R133-K137 WeakPolarHBondContact O-CD 3.44Å; R133-K137 VanDerWaalsContact O-CG 3.23Å; R133-K137 WeakPolarHBondContact O-CG 3.12Å; R133-K137 PolarHBondContact O-N 3.47Å; Q134-K137 WeakPolarHBondContact O-CB 3.3Å; Q134-K137 PolarHBondContact O-N 2.88Å; K137-A141 PolarHBondContact O-N 3.17Å; K137-A141 VanDerWaalsContact O-N 3.13Å
138	T	97.3	Very high	95.9	Very high	97 Å²	97	95 Å²	95	60%	0.595	48%	0.483	S	S	*	.	H	α-helix	trans	-71.7	-40	178.7	57.8	0	0	0	0	112.7	Q134 K135 A141 A142	Q134-T138 PolarHBondContact O-N 2.93Å; Q134-T138 VanDerWaalsContact O-N 3.09Å; K135-T138 PolarHBondContact O-N 2.91Å; K135-T138 PolarHBondContact O-OG1 2.85Å; T138-A141 PolarHBondContact O-N 3.21Å; T138-A142 PolarHBondContact O-N 2.79Å
139	L	95.6	Very high	95.9	Very high	114 Å²	114	97.8 Å²	97.8	60%	0.597	49%	0.488	S	S	*	.	H	α-helix	trans	-60.5	-43.4	173	-76.6	169.1	0	0	0	112.1	K135 A142 Y143	K135-L139 WeakPolarHBondContact O-CB 3.32Å; K135-L139 WeakPolarHBondContact O-CG 3.47Å; K135-L139 PolarHBondContact O-N 2.92Å; L139-A142 PolarHBondContact O-N 2.94Å; L139-Y143 PolarHBondContact O-N 3.48Å
140	K	95.4	Very high	95.9	Very high	136 Å²	136	99.3 Å²	99.3	59%	0.591	49%	0.491	S	S	*	.	H	α-helix	trans	-61.6	-45.8	175.7	-178.6	171.4	179.5	177.3	0	111.8	N136 A142 Y143 D144	N136-K140 WeakPolarHBondContact O-CB 3.4Å; N136-K140 PolarHBondContact O-N 2.87Å; K140-A142 VanDerWaalsContact C-N 3.27Å; K140-A142 PolarHBondContact O-N 3.48Å; K140-Y143 WeakPolarHBondContact O-CB 3.26Å; K140-Y143 PolarHBondContact O-N 3.47Å; K140-Y143 VanDerWaalsContact O-N 3.12Å; K140-D144 VanDerWaalsContact CE-OD2 3.25Å; K140-D144 WeakPolarHBondContact CE-OD2 3.44Å; K140-D144 WeakPolarHBondContact CG-OD2 3.25Å; K140-D144 PolarHBondContact O-N 2.87Å
141	A	96.8	Very high	95.7	Very high	61 Å²	61	104 Å²	104	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-60	-36.7	177.5	0	0	0	0	0	112.7	K137 T138 A145	K137-A141 PolarHBondContact O-N 3.17Å; K137-A141 VanDerWaalsContact O-N 3.13Å; T138-A141 PolarHBondContact O-N 3.21Å; A141-A145 WeakPolarHBondContact O-CB 3.37Å; A141-A145 PolarHBondContact O-N 3.25Å; A141-A145 VanDerWaalsContact O-N 3.16Å
142	A	97.3	Very high	95.7	Very high	63 Å²	63	103.9 Å²	103.9	52%	0.521	51%	0.506	S	S	.	.	H	α-helix	trans	-68.4	-39.5	174.2	0	0	0	0	0	112.7	T138 L139 K140 L146	T138-A142 PolarHBondContact O-N 2.79Å; L139-A142 PolarHBondContact O-N 2.94Å; K140-A142 VanDerWaalsContact C-N 3.27Å; K140-A142 PolarHBondContact O-N 3.48Å; A142-L146 PolarHBondContact O-N 3.18Å
143	Y	93.9	Very high	95.6	Very high	145 Å²	145	103.7 Å²	103.7	57%	0.569	51%	0.511	S	S	*	.	H	α-helix	trans	-64.9	-47.5	174.8	178	-93.5	0	0	0	112.2	L139 K140 A145 L146 L147	L139-Y143 PolarHBondContact O-N 3.48Å; K140-Y143 WeakPolarHBondContact O-CB 3.26Å; K140-Y143 PolarHBondContact O-N 3.47Å; K140-Y143 VanDerWaalsContact O-N 3.12Å; Y143-A145 VanDerWaalsContact C-N 3.28Å; Y143-A145 PolarHBondContact O-N 3.14Å; Y143-L146 WeakPolarHBondContact O-CB 3.34Å; Y143-L146 PolarHBondContact O-N 3.29Å; Y143-L146 VanDerWaalsContact O-N 3.08Å; Y143-L147 HydrophobicContact CE1-CD2 4.3Å; Y143-L147 WeakPolarHBondContact O-CB 3.4Å; Y143-L147 PolarHBondContact O-N 2.86Å
144	D	95.3	Very high	95.6	Very high	66 Å²	66	100.3 Å²	100.3	35%	0.353	50%	0.5	S	S	.	.	H	α-helix	trans	-61	-38	179.6	-68.5	-24	0	0	0	111	K140 L147 Q148	K140-D144 VanDerWaalsContact CE-OD2 3.25Å; K140-D144 WeakPolarHBondContact CE-OD2 3.44Å; K140-D144 WeakPolarHBondContact CG-OD2 3.25Å; K140-D144 PolarHBondContact O-N 2.87Å; D144-L147 PolarHBondContact O-N 2.82Å; D144-Q148 WeakPolarHBondContact O-CG 3.29Å; D144-Q148 PolarHBondContact O-N 2.87Å
145	A	97.6	Very high	95.5	Very high	41 Å²	41	97.1 Å²	97.1	34%	0.339	49%	0.49	S	S	.	.	H	α-helix	trans	-69.4	-34.1	173.8	0	0	0	0	0	113.6	A141 Y143 R149	A141-A145 WeakPolarHBondContact O-CB 3.37Å; A141-A145 PolarHBondContact O-N 3.25Å; A141-A145 VanDerWaalsContact O-N 3.16Å; Y143-A145 VanDerWaalsContact C-N 3.28Å; Y143-A145 PolarHBondContact O-N 3.14Å; A145-R149 WeakPolarHBondContact O-CG 3.45Å; A145-R149 PolarHBondContact O-N 3.09Å
146	L	95.9	Very high	95.5	Very high	111 Å²	111	97.2 Å²	97.2	58%	0.581	49%	0.491	S	S	*	.	H	α-helix	trans	-68.3	-41.7	173.3	-174.5	66.7	0	0	0	111.1	A142 Y143 Q148 R149 Q150	A142-L146 PolarHBondContact O-N 3.18Å; Y143-L146 WeakPolarHBondContact O-CB 3.34Å; Y143-L146 PolarHBondContact O-N 3.29Å; Y143-L146 VanDerWaalsContact O-N 3.08Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 3.42Å; L146-R149 WeakPolarHBondContact O-CB 3.4Å; L146-R149 PolarHBondContact O-N 2.88Å; L146-Q150 PolarHBondContact O-N 3.15Å
147	L	93.3	Very high	95.5	Very high	45 Å²	45	97.6 Å²	97.6	24%	0.236	49%	0.493	C	S	.	.	H	α-helix	trans	-64.3	-36.3	177.5	-175.9	63.2	0	0	0	112.2	Y143 D144 Q150 R151	Y143-L147 HydrophobicContact CE1-CD2 4.3Å; Y143-L147 WeakPolarHBondContact O-CB 3.4Å; Y143-L147 PolarHBondContact O-N 2.86Å; D144-L147 PolarHBondContact O-N 2.82Å; L147-Q150 PolarHBondContact O-N 3.42Å; L147-R151 WeakPolarHBondContact O-CG 3.29Å; L147-R151 PolarHBondContact O-N 3.3Å
148	Q	96.4	Very high	95.4	Very high	122 Å²	122	97.9 Å²	97.9	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-60.6	-48.9	170.4	-75.4	174.4	-6.9	0	0	111.6	D144 L146 Q150 R151 E152	D144-Q148 WeakPolarHBondContact O-CG 3.29Å; D144-Q148 PolarHBondContact O-N 2.87Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 3.42Å; Q148-Q150 VanDerWaalsContact C-N 3.31Å; Q148-Q150 PolarHBondContact O-N 2.84Å; Q148-R151 PolarHBondContact O-N 3.02Å; Q148-R151 VanDerWaalsContact O-N 3.11Å; Q148-E152 PolarHBondContact O-N 2.97Å
149	R	96.8	Very high	95.3	Very high	178 Å²	178	97.8 Å²	97.8	67%	0.672	48%	0.483	S	S	*	.	H	α-helix	trans	-60.3	-37.5	176.8	-70	173.8	178	177.9	0.2	113	A145 L146 A153	A145-R149 WeakPolarHBondContact O-CG 3.45Å; A145-R149 PolarHBondContact O-N 3.09Å; L146-R149 WeakPolarHBondContact O-CB 3.4Å; L146-R149 PolarHBondContact O-N 2.88Å; R149-A153 WeakPolarHBondContact O-CB 3.46Å; R149-A153 PolarHBondContact O-N 3.01Å
150	Q	95.1	Very high	95.3	Very high	104 Å²	104	97.1 Å²	97.1	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-62.4	-47.3	173.1	-177.7	-175.2	-27.4	0	0	111.2	L146 L147 Q148 E152 A153 E154	L146-Q150 PolarHBondContact O-N 3.15Å; L147-Q150 PolarHBondContact O-N 3.42Å; Q148-Q150 VanDerWaalsContact C-N 3.31Å; Q148-Q150 PolarHBondContact O-N 2.84Å; Q150-E152 VanDerWaalsContact C-N 3.31Å; Q150-E152 PolarHBondContact O-N 3.32Å; Q150-A153 WeakPolarHBondContact O-CB 3.41Å; Q150-A153 PolarHBondContact O-N 3.46Å; Q150-A153 VanDerWaalsContact O-N 3.09Å; Q150-E154 HydrophobicContact CG-CG 4.44Å; Q150-E154 PolarHBondContact NE2-OE1 3.27Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 3.45Å
151	R	93.4	Very high	95.2	Very high	160 Å²	160	95.8 Å²	95.8	60%	0.604	47%	0.471	S	S	*	.	H	α-helix	trans	-60.7	-39.6	179.6	-71.6	169.5	178.3	-175.3	-0.5	112.3	L147 Q148 E154 S155	L147-R151 WeakPolarHBondContact O-CG 3.29Å; L147-R151 PolarHBondContact O-N 3.3Å; Q148-R151 PolarHBondContact O-N 3.02Å; Q148-R151 VanDerWaalsContact O-N 3.11Å; R151-E154 PolarHBondContact O-N 2.94Å; R151-S155 PolarHBondContact O-N 2.77Å
152	E	96.9	Very high	95.2	Very high	100 Å²	100	97.3 Å²	97.3	47%	0.467	47%	0.468	S	S	.	.	H	α-helix	trans	-65.9	-37	172.6	-70.8	179.1	-146.6	0	0	113.5	Q148 Q150 S155 K156	Q148-E152 PolarHBondContact O-N 2.97Å; Q150-E152 VanDerWaalsContact C-N 3.31Å; Q150-E152 PolarHBondContact O-N 3.32Å; E152-S155 PolarHBondContact O-OG 3.11Å; E152-S155 VanDerWaalsContact O-OG 3.12Å; E152-K156 VanDerWaalsContact O-CD 3.26Å; E152-K156 WeakPolarHBondContact O-CD 3.28Å; E152-K156 VanDerWaalsContact O-CG 3.27Å; E152-K156 WeakPolarHBondContact O-CG 3.42Å; E152-K156 PolarHBondContact O-N 3.42Å; E152-K156 IonicContact OE2-NZ 3.51Å; E152-K156 PolarHBondContact OE2-NZ 3Å
153	A	93.6	Very high	95.1	Very high	58 Å²	58	99 Å²	99	48%	0.479	46%	0.463	S	S	.	.	H	α-helix	trans	-68.7	-39.2	175.6	0	0	0	0	0	111.1	R149 Q150 L157	R149-A153 WeakPolarHBondContact O-CB 3.46Å; R149-A153 PolarHBondContact O-N 3.01Å; Q150-A153 WeakPolarHBondContact O-CB 3.41Å; Q150-A153 PolarHBondContact O-N 3.46Å; Q150-A153 VanDerWaalsContact O-N 3.09Å; A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 PolarHBondContact O-N 2.99Å
154	E	93	Very high	95.1	Very high	66 Å²	66	98.2 Å²	98.2	31%	0.308	47%	0.465	S	S	.	.	H	α-helix	trans	-69	-35.2	174.9	-69.9	-178.1	-156.2	0	0	113.2	Q150 R151 L157 R158	Q150-E154 HydrophobicContact CG-CG 4.44Å; Q150-E154 PolarHBondContact NE2-OE1 3.27Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 3.45Å; R151-E154 PolarHBondContact O-N 2.94Å; E154-L157 PolarHBondContact O-N 3.4Å; E154-R158 VanDerWaalsContact CB-NH1 3.32Å; E154-R158 WeakPolarHBondContact O-CG 3.43Å; E154-R158 PolarHBondContact O-N 3.04Å; E154-R158 PolarHBondContact O-NH1 3.36Å; E154-R158 IonicContact OE2-CZ 2.69Å; E154-R158 IonicContact OE2-NH1 3.79Å; E154-R158 IonicContact OE2-NH2 3.59Å; E154-R158 PolarHBondContact OE2-NH2 2.83Å
155	S	95	Very high	95	Very high	45 Å²	45	101 Å²	101	32%	0.315	48%	0.475	S	S	.	.	H	α-helix	trans	-64.8	-47.7	175.4	76.2	0	0	0	0	110.6	R151 E152 L157 R158 E159	R151-S155 PolarHBondContact O-N 2.77Å; E152-S155 PolarHBondContact O-OG 3.11Å; E152-S155 VanDerWaalsContact O-OG 3.12Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 3.46Å; S155-R158 WeakPolarHBondContact O-CB 3.48Å; S155-R158 PolarHBondContact O-N 3.11Å; S155-E159 WeakPolarHBondContact O-CG 3.49Å; S155-E159 PolarHBondContact O-N 3.22Å
156	K	96.9	Very high	94.9	Very high	109 Å²	109	106 Å²	106	47%	0.474	49%	0.486	S	S	.	.	H	α-helix	trans	-57.1	-40.6	174.2	-68.4	161.4	-168.5	156.6	0	111.6	E152 R158 E159 E160	E152-K156 VanDerWaalsContact O-CD 3.26Å; E152-K156 WeakPolarHBondContact O-CD 3.28Å; E152-K156 VanDerWaalsContact O-CG 3.27Å; E152-K156 WeakPolarHBondContact O-CG 3.42Å; E152-K156 PolarHBondContact O-N 3.42Å; E152-K156 IonicContact OE2-NZ 3.51Å; E152-K156 PolarHBondContact OE2-NZ 3Å; K156-R158 PolarHBondContact O-N 2.96Å; K156-E159 PolarHBondContact O-N 3.41Å; K156-E160 WeakPolarHBondContact O-CG 3.3Å; K156-E160 PolarHBondContact O-N 3.09Å
157	L	94.3	Very high	94.9	Very high	101 Å²	101	105 Å²	105	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-67.6	-31.7	175.8	-176.1	60.9	0	0	0	113.5	A153 E154 S155 K161	A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 PolarHBondContact O-N 2.99Å; E154-L157 PolarHBondContact O-N 3.4Å; S155-L157 VanDerWaalsContact C-N 3.28Å; S155-L157 PolarHBondContact O-N 3.46Å; L157-K161 WeakPolarHBondContact O-CG 3.36Å; L157-K161 PolarHBondContact O-N 3.36Å
158	R	93.5	Very high	95	Very high	134 Å²	134	107.5 Å²	107.5	51%	0.506	50%	0.497	S	S	.	.	H	α-helix	trans	-70.3	-44.9	171.7	-69.2	174	-168.5	99.9	6.8	110.7	E154 S155 K156 E160 K161 E162	E154-R158 VanDerWaalsContact CB-NH1 3.32Å; E154-R158 WeakPolarHBondContact O-CG 3.43Å; E154-R158 PolarHBondContact O-N 3.04Å; E154-R158 PolarHBondContact O-NH1 3.36Å; E154-R158 IonicContact OE2-CZ 2.69Å; E154-R158 IonicContact OE2-NH1 3.79Å; E154-R158 IonicContact OE2-NH2 3.59Å; E154-R158 PolarHBondContact OE2-NH2 2.83Å; S155-R158 WeakPolarHBondContact O-CB 3.48Å; S155-R158 PolarHBondContact O-N 3.11Å; K156-R158 PolarHBondContact O-N 2.96Å; R158-E160 PolarHBondContact O-N 3.44Å; R158-K161 PolarHBondContact O-N 3.21Å; R158-E162 PolarHBondContact O-N 3.12Å
159	E	95.8	Very high	94.8	Very high	95 Å²	95	108 Å²	108	44%	0.444	50%	0.5	S	S	.	.	H	α-helix	trans	-59.1	-41.5	176.7	-69.6	167.3	-133.2	0	0	112.7	S155 K156 K163	S155-E159 WeakPolarHBondContact O-CG 3.49Å; S155-E159 PolarHBondContact O-N 3.22Å; K156-E159 PolarHBondContact O-N 3.41Å; E159-K163 WeakPolarHBondContact O-CD 3.27Å; E159-K163 VanDerWaalsContact O-CE 3.28Å; E159-K163 WeakPolarHBondContact O-CE 3.4Å; E159-K163 VanDerWaalsContact O-CG 3.29Å; E159-K163 WeakPolarHBondContact O-CG 3.42Å; E159-K163 PolarHBondContact O-N 2.99Å
160	E	95.2	Very high	94.8	Very high	99 Å²	99	104.5 Å²	104.5	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-68.1	-39.9	174.7	-66.8	-49.2	133.3	0	0	112.3	K156 R158 E162 K163 E164	K156-E160 WeakPolarHBondContact O-CG 3.3Å; K156-E160 PolarHBondContact O-N 3.09Å; R158-E160 PolarHBondContact O-N 3.44Å; E160-E162 PolarHBondContact O-N 2.82Å; E160-K163 WeakPolarHBondContact O-CA 3.28Å; E160-K163 WeakPolarHBondContact O-CB 3Å; E160-K163 PolarHBondContact O-N 3.22Å; E160-K163 IonicContact OE1-NZ 3.71Å; E160-K163 PolarHBondContact OE1-NZ 3.01Å; E160-K163 IonicContact OE2-NZ 2.69Å; E160-E164 PolarHBondContact O-N 2.9Å
161	K	93.3	Very high	94.8	Very high	108 Å²	108	103.2 Å²	103.2	47%	0.47	49%	0.489	S	S	.	.	H	α-helix	trans	-62.2	-41.1	175.4	-77.3	179	176.6	-169.5	0	112.8	L157 R158 K163 E164 E165	L157-K161 WeakPolarHBondContact O-CG 3.36Å; L157-K161 PolarHBondContact O-N 3.36Å; R158-K161 PolarHBondContact O-N 3.21Å; K161-K163 PolarHBondContact O-N 3.13Å; K161-E164 PolarHBondContact O-N 3.46Å; K161-E165 WeakPolarHBondContact O-CB 3.5Å; K161-E165 WeakPolarHBondContact O-CG 3.32Å; K161-E165 PolarHBondContact O-N 2.93Å
162	E	95.8	Very high	94.8	Very high	93 Å²	93	101.7 Å²	101.7	44%	0.435	49%	0.49	S	S	.	.	H	α-helix	trans	-61.5	-31.8	173.4	-75.2	-172.9	-140.5	0	0	112.4	R158 E160 R166	R158-E162 PolarHBondContact O-N 3.12Å; E160-E162 PolarHBondContact O-N 2.82Å; E162-R166 WeakPolarHBondContact O-CB 3.49Å; E162-R166 VanDerWaalsContact O-CD 3.26Å; E162-R166 WeakPolarHBondContact O-CD 3.45Å; E162-R166 WeakPolarHBondContact O-CG 3.45Å; E162-R166 PolarHBondContact O-N 2.83Å; E162-R166 VanDerWaalsContact O-N 3.15Å; E162-R166 PolarHBondContact O-NE 3.47Å; E162-R166 IonicContact OE2-CZ 3.27Å; E162-R166 IonicContact OE2-NH2 3.97Å; E162-R166 PolarHBondContact OE2-NH2 2.88Å
163	K	95.6	Very high	94.7	Very high	98 Å²	98	102.1 Å²	102.1	43%	0.426	49%	0.492	S	S	.	.	H	α-helix	trans	-72	-43.9	174	-64.1	161.9	-155.6	170.7	0	111	E159 E160 K161 R166 V167	E159-K163 WeakPolarHBondContact O-CD 3.27Å; E159-K163 VanDerWaalsContact O-CE 3.28Å; E159-K163 WeakPolarHBondContact O-CE 3.4Å; E159-K163 VanDerWaalsContact O-CG 3.29Å; E159-K163 WeakPolarHBondContact O-CG 3.42Å; E159-K163 PolarHBondContact O-N 2.99Å; E160-K163 WeakPolarHBondContact O-CA 3.28Å; E160-K163 WeakPolarHBondContact O-CB 3Å; E160-K163 PolarHBondContact O-N 3.22Å; E160-K163 IonicContact OE1-NZ 3.71Å; E160-K163 PolarHBondContact OE1-NZ 3.01Å; E160-K163 IonicContact OE2-NZ 2.69Å; K161-K163 PolarHBondContact O-N 3.13Å; K163-R166 PolarHBondContact O-N 3.48Å; K163-V167 WeakPolarHBondContact O-CB 3.2Å; K163-V167 VanDerWaalsContact O-CG2 3.28Å; K163-V167 WeakPolarHBondContact O-CG2 2.98Å; K163-V167 PolarHBondContact O-N 2.89Å
164	E	94.3	Very high	94.8	Very high	129 Å²	129	105.6 Å²	105.6	60%	0.603	50%	0.498	S	S	*	.	H	α-helix	trans	-58.8	-46.5	174.7	-70.1	-175.2	147.9	0	0	111.7	E160 K161 V167 L168	E160-E164 PolarHBondContact O-N 2.9Å; K161-E164 PolarHBondContact O-N 3.46Å; E164-V167 PolarHBondContact O-N 2.56Å; E164-L168 WeakPolarHBondContact O-CB 3.43Å; E164-L168 VanDerWaalsContact O-CG 3.31Å; E164-L168 WeakPolarHBondContact O-CG 3.43Å; E164-L168 PolarHBondContact O-N 3.45Å
165	E	93.4	Very high	94.8	Very high	124 Å²	124	108.7 Å²	108.7	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-62.1	-49	178.8	-74.7	176.3	179.3	0	0	111.7	K161 V167 L168 E169	K161-E165 WeakPolarHBondContact O-CB 3.5Å; K161-E165 WeakPolarHBondContact O-CG 3.32Å; K161-E165 PolarHBondContact O-N 2.93Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 3.01Å; E165-L168 WeakPolarHBondContact O-CB 3.29Å; E165-L168 PolarHBondContact O-N 2.65Å; E165-L168 VanDerWaalsContact O-N 3.1Å; E165-E169 WeakPolarHBondContact O-CG 3.43Å; E165-E169 PolarHBondContact O-N 3.36Å
166	R	94.9	Very high	94.7	Very high	146 Å²	146	114.3 Å²	114.3	55%	0.551	53%	0.53	S	S	*	.	H	α-helix	trans	-58.5	-42.3	176.6	-68.6	166.1	-156.6	-152.8	9.2	112.2	E162 K163 L168 E169 D170	E162-R166 WeakPolarHBondContact O-CB 3.49Å; E162-R166 VanDerWaalsContact O-CD 3.26Å; E162-R166 WeakPolarHBondContact O-CD 3.45Å; E162-R166 WeakPolarHBondContact O-CG 3.45Å; E162-R166 PolarHBondContact O-N 2.83Å; E162-R166 VanDerWaalsContact O-N 3.15Å; E162-R166 PolarHBondContact O-NE 3.47Å; E162-R166 IonicContact OE2-CZ 3.27Å; E162-R166 IonicContact OE2-NH2 3.97Å; E162-R166 PolarHBondContact OE2-NH2 2.88Å; K163-R166 PolarHBondContact O-N 3.48Å; R166-L168 VanDerWaalsContact C-N 3.34Å; R166-L168 PolarHBondContact O-N 2.95Å; R166-E169 PolarHBondContact O-N 2.86Å; R166-D170 PolarHBondContact O-N 3.47Å
167	V	95.9	Very high	94.6	Very high	92 Å²	92	113.1 Å²	113.1	56%	0.558	53%	0.526	S	S	*	.	H	α-helix	trans	-66.4	-35.4	176.9	170.1	0	0	0	0	111.8	K163 E164 E165 M171	K163-V167 WeakPolarHBondContact O-CB 3.2Å; K163-V167 VanDerWaalsContact O-CG2 3.28Å; K163-V167 WeakPolarHBondContact O-CG2 2.98Å; K163-V167 PolarHBondContact O-N 2.89Å; E164-V167 PolarHBondContact O-N 2.56Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 3.01Å; V167-M171 WeakPolarHBondContact O-CB 3.45Å; V167-M171 PolarHBondContact O-N 2.91Å; V167-M171 VanDerWaalsContact O-N 3.07Å
168	L	94.8	Very high	94.5	Very high	97 Å²	97	111 Å²	111	51%	0.508	52%	0.523	S	S	.	.	H	α-helix	trans	-69.9	-39.7	173.7	-74.1	169.1	0	0	0	112.2	E164 E165 R166 M171 M172	E164-L168 WeakPolarHBondContact O-CB 3.43Å; E164-L168 VanDerWaalsContact O-CG 3.31Å; E164-L168 WeakPolarHBondContact O-CG 3.43Å; E164-L168 PolarHBondContact O-N 3.45Å; E165-L168 WeakPolarHBondContact O-CB 3.29Å; E165-L168 PolarHBondContact O-N 2.65Å; E165-L168 VanDerWaalsContact O-N 3.1Å; R166-L168 VanDerWaalsContact C-N 3.34Å; R166-L168 PolarHBondContact O-N 2.95Å; L168-M171 HydrophobicContact CD2-CE 4.42Å; L168-M171 PolarHBondContact O-N 2.89Å; L168-M172 WeakPolarHBondContact O-CB 3.29Å; L168-M172 WeakPolarHBondContact O-CG 3.42Å; L168-M172 PolarHBondContact O-N 3.4Å
169	E	94	Very high	94.5	Very high	133 Å²	133	106.8 Å²	106.8	62%	0.621	52%	0.517	S	S	*	.	H	α-helix	trans	-62.6	-47.7	174.8	-72.3	-163.6	137.7	0	0	111.9	E165 R166 M171 M172 H173	E165-E169 WeakPolarHBondContact O-CG 3.43Å; E165-E169 PolarHBondContact O-N 3.36Å; R166-E169 PolarHBondContact O-N 2.86Å; E169-M171 VanDerWaalsContact C-N 3.33Å; E169-M171 PolarHBondContact O-N 2.95Å; E169-M172 PolarHBondContact O-N 3.07Å; E169-H173 WeakPolarHBondContact O-CB 3.38Å; E169-H173 PolarHBondContact O-N 3.02Å
170	D	95.9	Very high	94.4	Very high	103 Å²	103	105.1 Å²	105.1	55%	0.551	52%	0.519	S	S	*	.	H	α-helix	trans	-57.9	-45.7	174.3	-90.7	-26.6	0	0	0	111.5	R166 M172 H173 Q174	R166-D170 PolarHBondContact O-N 3.47Å; D170-M172 PolarHBondContact O-N 3.06Å; D170-H173 PolarHBondContact O-N 2.96Å; D170-Q174 VanDerWaalsContact O-CG 3.31Å; D170-Q174 WeakPolarHBondContact O-CG 3.47Å; D170-Q174 PolarHBondContact O-N 3.13Å
171	M	94.2	Very high	94.3	Very high	78 Å²	78	108.3 Å²	108.3	38%	0.384	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-40.2	177.3	-165.6	-160	-54.2	0	0	111.9	V167 L168 E169 K175	V167-M171 WeakPolarHBondContact O-CB 3.45Å; V167-M171 PolarHBondContact O-N 2.91Å; V167-M171 VanDerWaalsContact O-N 3.07Å; L168-M171 HydrophobicContact CD2-CE 4.42Å; L168-M171 PolarHBondContact O-N 2.89Å; E169-M171 VanDerWaalsContact C-N 3.33Å; E169-M171 PolarHBondContact O-N 2.95Å; M171-K175 HydrophobicContact CG-CD 4.25Å; M171-K175 WeakPolarHBondContact O-CB 3.39Å; M171-K175 VanDerWaalsContact O-CG 3.28Å; M171-K175 WeakPolarHBondContact O-CG 3.41Å; M171-K175 PolarHBondContact O-N 2.89Å; M171-K175 PolarHBondContact SD-NZ 3.16Å
172	M	94.8	Very high	94.3	Very high	127 Å²	127	108.7 Å²	108.7	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-65.5	-41.5	174.2	-79.7	-151.6	-67.7	0	0	111.6	L168 E169 D170 K175 K176	L168-M172 WeakPolarHBondContact O-CB 3.29Å; L168-M172 WeakPolarHBondContact O-CG 3.42Å; L168-M172 PolarHBondContact O-N 3.4Å; E169-M172 PolarHBondContact O-N 3.07Å; D170-M172 PolarHBondContact O-N 3.06Å; M172-K175 PolarHBondContact O-N 2.63Å; M172-K176 VanDerWaalsContact O-CB 3.23Å; M172-K176 WeakPolarHBondContact O-CB 3.47Å; M172-K176 PolarHBondContact O-N 2.85Å
173	H	95.1	Very high	94.2	Very high	109 Å²	109	108.6 Å²	108.6	51%	0.505	53%	0.534	S	S	.	.	H	α-helix	trans	-62.4	-47.4	178	-168	102.6	0	0	0	110.9	E169 D170 K175 K176 Q177	E169-H173 WeakPolarHBondContact O-CB 3.38Å; E169-H173 PolarHBondContact O-N 3.02Å; D170-H173 PolarHBondContact O-N 2.96Å; H173-K175 PolarHBondContact O-N 3.17Å; H173-K176 PolarHBondContact O-N 2.82Å; H173-Q177 PolarHBondContact CD2-NE2 3.36Å; H173-Q177 VanDerWaalsContact CD2-NE2 3.28Å; H173-Q177 PolarHBondContact NE2-NE2 3.26Å; H173-Q177 WeakPolarHBondContact O-CG 3.23Å; H173-Q177 PolarHBondContact O-N 2.92Å
174	Q	94	Very high	94.1	Very high	131 Å²	131	109 Å²	109	61%	0.612	54%	0.538	S	S	*	.	H	α-helix	trans	-60.2	-45.7	175.3	-69	176.3	27.2	0	0	112	D170 K176 Q177 A178	D170-Q174 VanDerWaalsContact O-CG 3.31Å; D170-Q174 WeakPolarHBondContact O-CG 3.47Å; D170-Q174 PolarHBondContact O-N 3.13Å; Q174-K176 PolarHBondContact O-N 3.23Å; Q174-Q177 PolarHBondContact O-N 2.88Å; Q174-A178 WeakPolarHBondContact O-CB 3.48Å; Q174-A178 PolarHBondContact O-N 3.35Å
175	K	94.1	Very high	94	Very high	131 Å²	131	111.5 Å²	111.5	57%	0.57	54%	0.541	S	S	*	.	H	α-helix	trans	-62.5	-40.7	175.8	-76.5	171.7	177.5	171.8	0	112.3	M171 M172 H173 A178 A179	M171-K175 HydrophobicContact CG-CD 4.25Å; M171-K175 WeakPolarHBondContact O-CB 3.39Å; M171-K175 VanDerWaalsContact O-CG 3.28Å; M171-K175 WeakPolarHBondContact O-CG 3.41Å; M171-K175 PolarHBondContact O-N 2.89Å; M171-K175 PolarHBondContact SD-NZ 3.16Å; M172-K175 PolarHBondContact O-N 2.63Å; H173-K175 PolarHBondContact O-N 3.17Å; K175-A178 PolarHBondContact O-N 3.24Å; K175-A179 WeakPolarHBondContact O-CB 3.24Å; K175-A179 PolarHBondContact O-N 2.64Å
176	K	93.4	Very high	93.9	Very high	163 Å²	163	109.2 Å²	109.2	71%	0.709	53%	0.533	S	S	*	.	H	α-helix	trans	-63.8	-43.3	176.4	-173.5	175.6	-179.1	178.2	0	111.5	M172 H173 Q174 A179 A180	M172-K176 VanDerWaalsContact O-CB 3.23Å; M172-K176 WeakPolarHBondContact O-CB 3.47Å; M172-K176 PolarHBondContact O-N 2.85Å; H173-K176 PolarHBondContact O-N 2.82Å; Q174-K176 PolarHBondContact O-N 3.23Å; K176-A179 PolarHBondContact O-N 2.96Å; K176-A180 WeakPolarHBondContact O-CB 3.31Å; K176-A180 PolarHBondContact O-N 3.33Å
177	Q	94.4	Very high	93.8	Very high	84 Å²	84	106.2 Å²	106.2	39%	0.393	53%	0.525	S	S	.	.	H	α-helix	trans	-61.3	-45.1	172	-72	-164.4	25.5	0	0	112.1	H173 Q174 A180 R181	H173-Q177 PolarHBondContact CD2-NE2 3.36Å; H173-Q177 VanDerWaalsContact CD2-NE2 3.28Å; H173-Q177 PolarHBondContact NE2-NE2 3.26Å; H173-Q177 WeakPolarHBondContact O-CG 3.23Å; H173-Q177 PolarHBondContact O-N 2.92Å; Q174-Q177 PolarHBondContact O-N 2.88Å; Q177-A180 PolarHBondContact O-N 3.06Å; Q177-R181 VanDerWaalsContact O-CG 3.26Å; Q177-R181 WeakPolarHBondContact O-CG 3.31Å; Q177-R181 PolarHBondContact O-N 3Å
178	A	92.8	Very high	93.6	Very high	57 Å²	57	109.6 Å²	109.6	47%	0.471	53%	0.528	S	S	.	.	H	α-helix	trans	-62.8	-43	178.8	0	0	0	0	0	112.2	Q174 K175 R181 M182	Q174-A178 WeakPolarHBondContact O-CB 3.48Å; Q174-A178 PolarHBondContact O-N 3.35Å; K175-A178 PolarHBondContact O-N 3.24Å; A178-R181 PolarHBondContact O-N 2.69Å; A178-M182 PolarHBondContact O-N 3.12Å
179	A	92.5	Very high	93.3	Very high	45 Å²	45	113.1 Å²	113.1	37%	0.372	54%	0.535	S	S	.	.	H	α-helix	trans	-62.4	-44.8	174.9	0	0	0	0	0	112	K175 K176 R181 M182 N183	K175-A179 WeakPolarHBondContact O-CB 3.24Å; K175-A179 PolarHBondContact O-N 2.64Å; K176-A179 PolarHBondContact O-N 2.96Å; A179-R181 PolarHBondContact O-N 3.06Å; A179-M182 WeakPolarHBondContact O-CB 3.26Å; A179-M182 PolarHBondContact O-N 2.76Å; A179-M182 VanDerWaalsContact O-N 3.11Å; A179-N183 PolarHBondContact O-N 3.13Å
180	A	93.6	Very high	93.1	Very high	60 Å²	60	109.5 Å²	109.5	50%	0.496	52%	0.524	S	S	.	.	H	α-helix	trans	-60.2	-43.1	175.8	0	0	0	0	0	112.3	K176 Q177 M182 N183 H184	K176-A180 WeakPolarHBondContact O-CB 3.31Å; K176-A180 PolarHBondContact O-N 3.33Å; Q177-A180 PolarHBondContact O-N 3.06Å; A180-M182 VanDerWaalsContact C-N 3.29Å; A180-M182 PolarHBondContact O-N 3Å; A180-N183 PolarHBondContact O-N 3.32Å; A180-H184 PolarHBondContact O-N 2.96Å
181	R	94.1	Very high	92.9	Very high	167 Å²	167	111.7 Å²	111.7	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-62	-34.9	174.3	-67.5	170.3	-165.1	-166.5	8.1	112.1	Q177 A178 A179 R185	Q177-R181 VanDerWaalsContact O-CG 3.26Å; Q177-R181 WeakPolarHBondContact O-CG 3.31Å; Q177-R181 PolarHBondContact O-N 3Å; A178-R181 PolarHBondContact O-N 2.69Å; A179-R181 PolarHBondContact O-N 3.06Å; R181-R185 WeakPolarHBondContact O-CG 3.49Å; R181-R185 PolarHBondContact O-N 3.3Å
182	M	92.9	Very high	92.7	Very high	116 Å²	116	110.6 Å²	110.6	57%	0.571	53%	0.528	S	S	*	.	H	α-helix	trans	-72.3	-45.8	175.3	-166.6	-172.4	-60	0	0	111.9	A178 A179 A180 H184 R185 N186	A178-M182 PolarHBondContact O-N 3.12Å; A179-M182 WeakPolarHBondContact O-CB 3.26Å; A179-M182 PolarHBondContact O-N 2.76Å; A179-M182 VanDerWaalsContact O-N 3.11Å; A180-M182 VanDerWaalsContact C-N 3.29Å; A180-M182 PolarHBondContact O-N 3Å; M182-H184 PolarHBondContact O-N 3.21Å; M182-R185 WeakPolarHBondContact O-CB 3.3Å; M182-R185 PolarHBondContact O-N 3.42Å; M182-R185 VanDerWaalsContact O-N 3.12Å; M182-N186 PolarHBondContact O-N 2.79Å
183	N	92.6	Very high	92.5	Very high	91 Å²	91	113.4 Å²	113.4	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-60.6	-43.6	178.9	-73.2	-4.1	0	0	0	111.3	A179 A180 R185 N186 E187	A179-N183 PolarHBondContact O-N 3.13Å; A180-N183 PolarHBondContact O-N 3.32Å; N183-R185 VanDerWaalsContact C-N 3.29Å; N183-R185 PolarHBondContact O-N 3.25Å; N183-N186 CarbonylContact O-C 3.57Å; N183-N186 PolarHBondContact O-N 2.75Å; N183-E187 PolarHBondContact O-N 3.5Å
184	H	93.8	Very high	92.2	Very high	107 Å²	107	113.7 Å²	113.7	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-60	-36.1	175.6	-169.4	54.7	0	0	0	113	A180 M182 R188	A180-H184 PolarHBondContact O-N 2.96Å; M182-H184 PolarHBondContact O-N 3.21Å; H184-R188 VanDerWaalsContact O-CG 3.29Å; H184-R188 WeakPolarHBondContact O-CG 3.22Å; H184-R188 PolarHBondContact O-N 3.38Å; H184-R188 VanDerWaalsContact O-N 3.13Å
185	R	92.6	Very high	92	Very high	181 Å²	181	110 Å²	110	68%	0.683	53%	0.525	S	S	*	.	H	α-helix	trans	-68.6	-39.2	173.2	-71	172.6	173.9	-173.5	-2.2	111.9	R181 M182 N183 R189	R181-R185 WeakPolarHBondContact O-CG 3.49Å; R181-R185 PolarHBondContact O-N 3.3Å; M182-R185 WeakPolarHBondContact O-CB 3.3Å; M182-R185 PolarHBondContact O-N 3.42Å; M182-R185 VanDerWaalsContact O-N 3.12Å; N183-R185 VanDerWaalsContact C-N 3.29Å; N183-R185 PolarHBondContact O-N 3.25Å; R185-R189 WeakPolarHBondContact O-CG 3.46Å; R185-R189 PolarHBondContact O-N 3.12Å; R185-R189 VanDerWaalsContact O-N 3.16Å
186	N	90.8	Very high	91.8	Very high	76 Å²	76	107.6 Å²	107.6	41%	0.406	52%	0.521	S	S	.	.	H	α-helix	trans	-71.6	-38.9	178.1	-73.8	-18	0	0	0	112.4	M182 N183 R189 S190	M182-N186 PolarHBondContact O-N 2.79Å; N183-N186 CarbonylContact O-C 3.57Å; N183-N186 PolarHBondContact O-N 2.75Å; N186-R189 WeakPolarHBondContact O-CB 3.49Å; N186-R189 PolarHBondContact O-N 3.25Å; N186-S190 WeakPolarHBondContact O-CB 3.48Å; N186-S190 PolarHBondContact O-N 3.01Å
187	E	92.6	Very high	91.6	Very high	82 Å²	82	103.3 Å²	103.3	38%	0.383	51%	0.509	S	S	.	.	H	α-helix	trans	-61	-47	171.8	-81.4	-171.7	-119.6	0	0	112.1	N183 R189 S190 R191	N183-E187 PolarHBondContact O-N 3.5Å; E187-R189 VanDerWaalsContact C-N 3.27Å; E187-R189 PolarHBondContact O-N 3.13Å; E187-S190 PolarHBondContact O-N 3.29Å; E187-R191 WeakPolarHBondContact O-CG 3.26Å; E187-R191 PolarHBondContact O-N 2.9Å; E187-R191 IonicContact OE2-CZ 2.81Å; E187-R191 IonicContact OE2-NE 2.81Å; E187-R191 IonicContact OE2-NH2 3.62Å; E187-R191 PolarHBondContact OE2-NH2 2.98Å
188	R	91.6	Very high	91.2	Very high	163 Å²	163	105.2 Å²	105.2	62%	0.615	52%	0.518	S	S	*	.	H	α-helix	trans	-55.7	-43.2	174.7	-74.6	174.1	-178.7	-139.2	0.1	111.4	H184 A192	H184-R188 VanDerWaalsContact O-CG 3.29Å; H184-R188 WeakPolarHBondContact O-CG 3.22Å; H184-R188 PolarHBondContact O-N 3.38Å; H184-R188 VanDerWaalsContact O-N 3.13Å; R188-A192 WeakPolarHBondContact O-CB 3.14Å; R188-A192 PolarHBondContact O-N 3.38Å; R188-A192 VanDerWaalsContact O-N 3.09Å
189	R	89.6	Confident	91	Very high	171 Å²	171	109.7 Å²	109.7	65%	0.645	53%	0.527	S	S	*	.	H	α-helix	trans	-65.4	-38.6	174.3	-73.6	171.8	167.9	-175.2	-6.1	112.8	R185 N186 E187 R193	R185-R189 WeakPolarHBondContact O-CG 3.46Å; R185-R189 PolarHBondContact O-N 3.12Å; R185-R189 VanDerWaalsContact O-N 3.16Å; N186-R189 WeakPolarHBondContact O-CB 3.49Å; N186-R189 PolarHBondContact O-N 3.25Å; E187-R189 VanDerWaalsContact C-N 3.27Å; E187-R189 PolarHBondContact O-N 3.13Å; R189-R193 WeakPolarHBondContact O-CG 3.32Å; R189-R193 PolarHBondContact O-N 2.96Å
190	S	89.1	Confident	90.7	Very high	58 Å²	58	113.2 Å²	113.2	41%	0.406	54%	0.535	S	S	.	.	H	α-helix	trans	-68	-49.6	178.8	-166.2	0	0	0	0	111.7	N186 E187 A192 R193 Q194	N186-S190 WeakPolarHBondContact O-CB 3.48Å; N186-S190 PolarHBondContact O-N 3.01Å; E187-S190 PolarHBondContact O-N 3.29Å; S190-A192 VanDerWaalsContact C-N 3.31Å; S190-A192 PolarHBondContact O-N 3.02Å; S190-R193 WeakPolarHBondContact O-CB 3.14Å; S190-R193 PolarHBondContact O-N 2.67Å; S190-R193 VanDerWaalsContact O-N 3.11Å; S190-Q194 WeakPolarHBondContact O-CG 3.27Å; S190-Q194 PolarHBondContact O-N 3.42Å
191	R	91.7	Very high	90.1	Very high	149 Å²	149	115.7 Å²	115.7	56%	0.562	54%	0.54	S	S	*	.	H	α-helix	trans	-59.6	-40	176.2	-63.9	178	-161.1	-159.9	5.7	111.5	E187 Q194 A195	E187-R191 WeakPolarHBondContact O-CG 3.26Å; E187-R191 PolarHBondContact O-N 2.9Å; E187-R191 IonicContact OE2-CZ 2.81Å; E187-R191 IonicContact OE2-NE 2.81Å; E187-R191 IonicContact OE2-NH2 3.62Å; E187-R191 PolarHBondContact OE2-NH2 2.98Å; R191-Q194 PolarHBondContact O-N 2.96Å; R191-A195 WeakPolarHBondContact O-CB 3.18Å; R191-A195 PolarHBondContact O-N 3.18Å
192	A	90.3	Very high	89.5	Confident	55 Å²	55	113.5 Å²	113.5	46%	0.455	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-42.9	173.8	0	0	0	0	0	112.8	R188 S190 A195 T196	R188-A192 WeakPolarHBondContact O-CB 3.14Å; R188-A192 PolarHBondContact O-N 3.38Å; R188-A192 VanDerWaalsContact O-N 3.09Å; S190-A192 VanDerWaalsContact C-N 3.31Å; S190-A192 PolarHBondContact O-N 3.02Å; A192-A195 PolarHBondContact O-N 3.43Å; A192-T196 PolarHBondContact O-N 3.37Å; A192-T196 PolarHBondContact O-OG1 3.3Å
193	R	91.1	Very high	88.9	Confident	186 Å²	186	112.2 Å²	112.2	70%	0.702	54%	0.536	S	S	*	.	H	α-helix	trans	-62.2	-46.1	173.2	-74.4	171.8	174.6	-172.4	-3.5	111.7	R189 S190 A195 T196 V197	R189-R193 WeakPolarHBondContact O-CG 3.32Å; R189-R193 PolarHBondContact O-N 2.96Å; S190-R193 WeakPolarHBondContact O-CB 3.14Å; S190-R193 PolarHBondContact O-N 2.67Å; S190-R193 VanDerWaalsContact O-N 3.11Å; R193-A195 PolarHBondContact O-N 3.18Å; R193-T196 WeakPolarHBondContact O-CB 3.28Å; R193-T196 PolarHBondContact O-N 3.45Å; R193-T196 VanDerWaalsContact O-N 3.14Å; R193-V197 WeakPolarHBondContact O-CG2 3.34Å; R193-V197 PolarHBondContact O-N 3.18Å
194	Q	89.4	Confident	88.1	Confident	115 Å²	115	110.7 Å²	110.7	54%	0.537	54%	0.535	S	S	.	.	H	α-helix	trans	-59.2	-45.7	177.3	-72.8	172.2	-29.4	0	0	111.9	S190 R191 T196 V197 Q198	S190-Q194 WeakPolarHBondContact O-CG 3.27Å; S190-Q194 PolarHBondContact O-N 3.42Å; R191-Q194 PolarHBondContact O-N 2.96Å; Q194-T196 VanDerWaalsContact C-N 3.31Å; Q194-T196 PolarHBondContact O-N 3.14Å; Q194-V197 PolarHBondContact O-N 3.01Å; Q194-Q198 WeakPolarHBondContact O-CB 3.38Å; Q194-Q198 WeakPolarHBondContact O-CG 3.34Å; Q194-Q198 PolarHBondContact O-N 3.38Å
195	A	89	Confident	87	Confident	54 Å²	54	109.8 Å²	109.8	45%	0.446	55%	0.547	S	S	.	.	H	α-helix	trans	-63.1	-35.5	175.1	0	0	0	0	0	112.6	R191 A192 R193 K199	R191-A195 WeakPolarHBondContact O-CB 3.18Å; R191-A195 PolarHBondContact O-N 3.18Å; A192-A195 PolarHBondContact O-N 3.43Å; R193-A195 PolarHBondContact O-N 3.18Å; A195-K199 WeakPolarHBondContact O-CB 3.38Å; A195-K199 PolarHBondContact O-N 3.09Å
196	T	90.5	Very high	85.8	Confident	79 Å²	79	111.4 Å²	111.4	49%	0.485	55%	0.553	S	S	.	*	H	α-helix	trans	-65.4	-45.6	175.2	-52.1	0	0	0	0	111.1	A192 R193 Q194 K199 Q200	A192-T196 PolarHBondContact O-N 3.37Å; A192-T196 PolarHBondContact O-OG1 3.3Å; R193-T196 WeakPolarHBondContact O-CB 3.28Å; R193-T196 PolarHBondContact O-N 3.45Å; R193-T196 VanDerWaalsContact O-N 3.14Å; Q194-T196 VanDerWaalsContact C-N 3.31Å; Q194-T196 PolarHBondContact O-N 3.14Å; T196-K199 PolarHBondContact O-N 3.42Å; T196-Q200 WeakPolarHBondContact O-CG 3.32Å; T196-Q200 PolarHBondContact O-N 3.42Å
197	V	87.7	Confident	84.3	Confident	74 Å²	74	111.3 Å²	111.3	45%	0.448	56%	0.558	S	S	.	*	H	α-helix	trans	-66	-41.1	176.6	173.2	0	0	0	0	111.4	R193 Q194 K199 Q200 L201	R193-V197 WeakPolarHBondContact O-CG2 3.34Å; R193-V197 PolarHBondContact O-N 3.18Å; Q194-V197 PolarHBondContact O-N 3.01Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3.11Å; V197-Q200 WeakPolarHBondContact O-CB 3.26Å; V197-Q200 PolarHBondContact O-N 3.46Å; V197-L201 HydrophobicContact CG1-CD1 4.04Å; V197-L201 HydrophobicContact CG1-CG 4.38Å; V197-L201 WeakPolarHBondContact O-CG 3.39Å; V197-L201 PolarHBondContact O-N 3.22Å
198	Q	86.9	Confident	82.6	Confident	124 Å²	124	117 Å²	117	58%	0.579	58%	0.581	S	S	*	*	H	α-helix	trans	-60.4	-41.3	173.4	-77.7	-179.7	-23.3	0	0	111.9	Q194 L201 Q202	Q194-Q198 WeakPolarHBondContact O-CB 3.38Å; Q194-Q198 WeakPolarHBondContact O-CG 3.34Å; Q194-Q198 PolarHBondContact O-N 3.38Å; Q198-L201 PolarHBondContact O-N 3.11Å; Q198-Q202 WeakPolarHBondContact O-CB 3.34Å; Q198-Q202 WeakPolarHBondContact O-CG 3.13Å; Q198-Q202 PolarHBondContact O-N 2.54Å
199	K	89.3	Confident	80.7	Confident	150 Å²	150	115 Å²	115	65%	0.652	59%	0.587	S	S	*	*	H	α-helix	trans	-63.5	-41.1	174.7	-168.3	178.7	-177.8	-178.2	0	111.7	A195 T196 V197 Q202 T203	A195-K199 WeakPolarHBondContact O-CB 3.38Å; A195-K199 PolarHBondContact O-N 3.09Å; T196-K199 PolarHBondContact O-N 3.42Å; V197-K199 VanDerWaalsContact C-N 3.33Å; V197-K199 PolarHBondContact O-N 3.11Å; K199-Q202 PolarHBondContact O-N 3.16Å; K199-T203 PolarHBondContact O-N 3.48Å; K199-T203 PolarHBondContact O-OG1 3.04Å; K199-T203 VanDerWaalsContact O-OG1 3.04Å
200	Q	85.4	Confident	78.7	Confident	119 Å²	119	113.5 Å²	113.5	56%	0.556	59%	0.59	S	S	*	*	H	α-helix	trans	-63.1	-44.5	175.1	-74.3	173.6	-34.2	0	0	112.1	T196 V197 T203 A204	T196-Q200 WeakPolarHBondContact O-CG 3.32Å; T196-Q200 PolarHBondContact O-N 3.42Å; V197-Q200 WeakPolarHBondContact O-CB 3.26Å; V197-Q200 PolarHBondContact O-N 3.46Å; Q200-T203 WeakPolarHBondContact CA-OG1 3.3Å; Q200-T203 PolarHBondContact O-N 3.25Å; Q200-T203 PolarHBondContact O-OG1 3.01Å; Q200-A204 WeakPolarHBondContact O-CB 3.23Å; Q200-A204 PolarHBondContact O-N 3.06Å
201	L	81.1	Confident	76.9	Confident	112 Å²	112	116.9 Å²	116.9	59%	0.586	61%	0.609	S	S	*	*	H	α-helix	trans	-62.9	-41.4	175.1	-71.1	169.5	0	0	0	111.9	V197 Q198 T203 A204 A205	V197-L201 HydrophobicContact CG1-CD1 4.04Å; V197-L201 HydrophobicContact CG1-CG 4.38Å; V197-L201 WeakPolarHBondContact O-CG 3.39Å; V197-L201 PolarHBondContact O-N 3.22Å; Q198-L201 PolarHBondContact O-N 3.11Å; L201-T203 PolarHBondContact O-N 3.49Å; L201-A204 PolarHBondContact O-N 3.24Å; L201-A205 VanDerWaalsContact O-CB 3.28Å; L201-A205 WeakPolarHBondContact O-CB 3.34Å; L201-A205 PolarHBondContact O-N 2.99Å
202	Q	82.6	Confident	74.2	Confident	122 Å²	122	116.5 Å²	116.5	57%	0.57	62%	0.618	S	S	*	*	H	α-helix	trans	-66	-33.6	174.9	-75	179.8	0.7	0	0	113.1	Q198 K199 R206	Q198-Q202 WeakPolarHBondContact O-CB 3.34Å; Q198-Q202 WeakPolarHBondContact O-CG 3.13Å; Q198-Q202 PolarHBondContact O-N 2.54Å; K199-Q202 PolarHBondContact O-N 3.16Å; Q202-R206 WeakPolarHBondContact O-CB 3.37Å; Q202-R206 WeakPolarHBondContact O-CD 3.39Å; Q202-R206 VanDerWaalsContact O-CG 3.25Å; Q202-R206 WeakPolarHBondContact O-CG 3.49Å; Q202-R206 PolarHBondContact O-N 2.86Å
203	T	80.2	Confident	71.9	Confident	89 Å²	89	119.2 Å²	119.2	55%	0.546	63%	0.633	S	S	.	*	H	α-helix	trans	-73.4	-39.2	172.9	44.1	0	0	0	0	112.4	K199 Q200 L201 R206 S207	K199-T203 PolarHBondContact O-N 3.48Å; K199-T203 PolarHBondContact O-OG1 3.04Å; K199-T203 VanDerWaalsContact O-OG1 3.04Å; Q200-T203 WeakPolarHBondContact CA-OG1 3.3Å; Q200-T203 PolarHBondContact O-N 3.25Å; Q200-T203 PolarHBondContact O-OG1 3.01Å; L201-T203 PolarHBondContact O-N 3.49Å; T203-R206 PolarHBondContact O-N 2.81Å; T203-S207 PolarHBondContact O-N 2.99Å
204	A	74	Confident	69.6	Low	58 Å²	58	115 Å²	115	48%	0.479	64%	0.639	S	S	.	*	H	α-helix	trans	-63.2	-46.5	174.5	0	0	0	0	0	111.6	Q200 L201 R206 S207	Q200-A204 WeakPolarHBondContact O-CB 3.23Å; Q200-A204 PolarHBondContact O-N 3.06Å; L201-A204 PolarHBondContact O-N 3.24Å; A204-R206 PolarHBondContact O-N 2.8Å; A204-R206 VanDerWaalsContact O-N 3.15Å; A204-S207 PolarHBondContact O-N 2.9Å; A204-S207 PolarHBondContact O-OG 3.26Å
205	A	71.3	Confident	67.5	Low	89 Å²	89	115.5 Å²	115.5	74%	0.736	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-14.1	177.1	0	0	0	0	0	114.2	L201	L201-A205 VanDerWaalsContact O-CB 3.28Å; L201-A205 WeakPolarHBondContact O-CB 3.34Å; L201-A205 PolarHBondContact O-N 2.99Å
206	R	67.9	Low	65	Low	214 Å²	214	119.4 Å²	119.4	81%	0.808	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-11.5	172.1	-75.3	174.5	178	-169	-0.6	113.5	Q202 T203 A204	Q202-R206 WeakPolarHBondContact O-CB 3.37Å; Q202-R206 WeakPolarHBondContact O-CD 3.39Å; Q202-R206 VanDerWaalsContact O-CG 3.25Å; Q202-R206 WeakPolarHBondContact O-CG 3.49Å; Q202-R206 PolarHBondContact O-N 2.86Å; T203-R206 PolarHBondContact O-N 2.81Å; A204-R206 PolarHBondContact O-N 2.8Å; A204-R206 VanDerWaalsContact O-N 3.15Å
207	S	59.2	Low	62.3	Low	75 Å²	75	121.7 Å²	121.7	52%	0.524	69%	0.689	S	S	.	*	S	Bend	trans	-78.6	124.4	170.2	69.7	0	0	0	0	109.7	T203 A204 V209	T203-S207 PolarHBondContact O-N 2.99Å; A204-S207 PolarHBondContact O-N 2.9Å; A204-S207 PolarHBondContact O-OG 3.26Å; S207-V209 PolarHBondContact O-N 2.93Å
208	K	55.8	Low	59.8	Low	200 Å²	200	129.4 Å²	129.4	87%	0.87	71%	0.71	S	S	*	*			trans	-75.8	115	170.8	-77.9	-173.8	173.8	-176.4	0	108.5	I210	K208-I210 PolarHBondContact O-N 2.77Å
209	V	52.5	Low	57.1	Low	121 Å²	121	128.3 Å²	128.3	73%	0.733	72%	0.716	S	S	*	*			trans	-71.6	114.6	168.4	-178.3	0	0	0	0	108	S207 V211	S207-V209 PolarHBondContact O-N 2.93Å; V209-V211 HydrophobicContact CG1-CG2 3.9Å
210	I	47	Very low	54.4	Low	140 Å²	140	127.3 Å²	127.3	72%	0.718	72%	0.723	S	S	*	*			trans	-82.1	123.9	165.5	-61.6	173.1	0	0	0	106.6	K208 D212	K208-I210 PolarHBondContact O-N 2.77Å; I210-D212 WeakPolarHBondContact CG2-OD2 3.41Å
211	V	52	Low	52.2	Low	130 Å²	130	127 Å²	127	79%	0.788	73%	0.734	S	S	*	*			trans	-108.3	85.6	174.2	-176.3	0	0	0	0	107.6	V209	V209-V211 HydrophobicContact CG1-CG2 3.9Å
212	D	35.5	Very low	50.3	Low	141 Å²	141	127.9 Å²	127.9	75%	0.754	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-92.3	148.9	164.8	-83.9	-50.4	0	0	0	110.3	I210	I210-D212 WeakPolarHBondContact CG2-OD2 3.41Å
213	S	41.1	Very low	47.8	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-75.9	148.8	-172.9	45.2	0	0	0	0	113
214	A	42.4	Very low	46.7	Very low	98 Å²	98	131.9 Å²	131.9	81%	0.81	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-66.4	152.4	173.4	0	0	0	0	0	111.8
215	P	46.4	Very low	44.7	Very low	124 Å²	124	137.5 Å²	137.5	81%	0.805	78%	0.781	S	S	*	*			trans	-125.6	165.9	131.2	35.5	-28.8	0	0	0	113.6
216	T	36.7	Very low	42.8	Very low	137 Å²	137	139.2 Å²	139.2	84%	0.84	78%	0.778	S	S	*	*			trans	-73.1	151.1	-177.4	46.9	0	0	0	0	113.9
217	S	34.3	Very low	41.3	Very low	126 Å²	126	135.9 Å²	135.9	88%	0.881	77%	0.771	S	S	*	*			trans	-167.7	160.5	132	39.9	0	0	0	0	112.2
218	R	34.2	Very low	40.2	Very low	236 Å²	236	137.5 Å²	137.5	89%	0.891	77%	0.774	S	S	*	*			trans	-83.4	153.8	178.1	-65.3	168.6	165.5	165.5	-6.4	110.6
219	S	31.3	Very low	39.5	Very low	102 Å²	102	135.8 Å²	135.8	71%	0.713	77%	0.767	S	S	*	*				148	155.5	101.9	60.4	0	0	0	0	115.5
220	T	31	Very low	38.6	Very low	129 Å²	129	135.7 Å²	135.7	79%	0.791	77%	0.771	S	S	*	*			trans	55.5	115.5	155.2	45	0	0	0	0	121.2
221	S	39.5	Very low	37.8	Very low	112 Å²	112	133 Å²	133	78%	0.783	78%	0.777	S	S	*	*			trans	-61.6	163.3	148	-38.7	0	0	0	0	111.3
222	P	41	Very low	36.7	Very low	130 Å²	130	130.1 Å²	130.1	84%	0.844	77%	0.774	S	S	*	*				-144.3	-179.8	93.6	39.4	-24.3	0	0	0	116.2
223	K	29.7	Very low	36.5	Very low	194 Å²	194	135.8 Å²	135.8	84%	0.843	79%	0.785	S	S	*	*			trans	-100	179.8	167	-82.3	-177.2	174.7	-178	0	109.3
224	P	58	Low	36	Very low	102 Å²	102	134 Å²	134	66%	0.662	79%	0.785	S	S	*	*			cis	-131	-129.6	-41.9	35	-13	0	0	0	109.1
225	E	31.8	Very low	35.5	Very low	176 Å²	176	134 Å²	134	82%	0.822	78%	0.784	S	S	*	*			trans	72.9	145.5	164.7	-73.5	171.5	-142.3	0	0	118.5
226	D	32.3	Very low	34.6	Very low	125 Å²	125	134 Å²	134	67%	0.668	78%	0.783	S	S	*	*			cis	-164.4	176.9	-28.1	-159.2	10.9	0	0	0	110.8
227	Q	36	Very low	34.2	Very low	144 Å²	144	138.7 Å²	138.7	67%	0.673	79%	0.785	S	S	*	*			trans	69.5	148.7	160.7	-70	161.1	51.9	0	0	116.2
228	D	35.4	Very low	34.4	Very low	108 Å²	108	140.8 Å²	140.8	58%	0.578	79%	0.785	S	S	*	*			cis	-164	174.6	2.3	-112.3	-10	0	0	0	106.5
229	K	40.7	Very low	34	Very low	165 Å²	165	138.6 Å²	138.6	72%	0.717	78%	0.782	S	S	*	*			cis	-163.9	164.3	-21.7	-113.8	163.2	-164.8	129.7	0	103.7
230	S	33.9	Very low	33.9	Very low	119 Å²	119	144 Å²	144	83%	0.832	79%	0.787	S	S	*	*			cis	-164.9	162.9	-3.6	45.6	0	0	0	0	105.5
231	G	29.9	Very low	33.8	Very low	82 Å²	82	143.1 Å²	143.1	85%	0.845	79%	0.786	S	S	*	*			cis	157.5	157.1	3.7	0	0	0	0	0	107.5
232	G	28.7	Very low	33.6	Very low	70 Å²	70	142.1 Å²	142.1	72%	0.722	79%	0.785	S	S	*	*			cis	170.1	171	-6.2	0	0	0	0	0	111.3
233	R	31.8	Very low	33	Very low	260 Å²	260	141.9 Å²	141.9	98%	0.981	79%	0.786	S	S	*	*			trans	67.5	145.2	176.4	-55.1	177.4	175.9	176.7	-1.8	115.3
234	G	30.1	Very low	33.1	Very low	76 Å²	76	137.4 Å²	137.4	78%	0.784	79%	0.786	S	S	*	*			cis	-154	171.8	-1	0	0	0	0	0	111.9
235	A	32.2	Very low	31.8	Very low	96 Å²	96	138.7 Å²	138.7	79%	0.793	80%	0.797	S	S	*	*			trans	-82.8	148.5	-169.7	0	0	0	0	0	114.2
236	T	27.8	Very low	32	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	79%	0.786	S	S	*	*				-172.6	150	124.4	18	0	0	0	0	113.6
237	R	29.2	Very low	32.6	Very low	235 Å²	235	134.6 Å²	134.6	89%	0.887	80%	0.795	S	S	*	*			trans	41.8	119.7	148.4	-64.2	177.2	-179.8	174.3	0.4	120	F239	R237-F239 PolarHBondContact O-N 2.8Å
238	L	37.9	Very low	32.5	Very low	170 Å²	170	138 Å²	138	89%	0.89	80%	0.801	S	S	*	*			trans	-55.6	115.5	162.5	-69	160.7	0	0	0	112.4
239	F	26.1	Very low	32.3	Very low	190 Å²	190	142.4 Å²	142.4	83%	0.833	82%	0.815	S	S	*	*			trans	-162.3	171.5	149.5	-104.6	-63	0	0	0	111.6	R237	R237-F239 PolarHBondContact O-N 2.8Å
240	R	29.8	Very low	31.9	Very low	217 Å²	217	143.6 Å²	143.6	82%	0.819	82%	0.821	S	S	*	*			trans	-31.1	144	173.1	-64	160.5	169.8	151.5	-6.1	114.2
241	S	28.8	Very low	32	Very low	109 Å²	109	143.6 Å²	143.6	76%	0.762	82%	0.821	S	S	*	*				-164.1	145.6	67.5	-73.9	0	0	0	0	110.2
242	A	34.3	Very low	32.5	Very low	92 Å²	92	144.4 Å²	144.4	76%	0.76	81%	0.814	S	S	*	*				67	103.1	65.4	0	0	0	0	0	115.1
243	S	29.1	Very low	33.1	Very low	125 Å²	125	147 Å²	147	87%	0.874	81%	0.81	S	S	*	*			trans	-140	118.7	156.4	-67.9	0	0	0	0	106.4
244	A	31.6	Very low	33.2	Very low	100 Å²	100	146 Å²	146	83%	0.826	81%	0.806	S	S	*	*			cis	86.9	73.8	28.6	0	0	0	0	0	114.8
245	S	30.7	Very low	33.6	Very low	128 Å²	128	151.6 Å²	151.6	90%	0.895	81%	0.812	S	S	*	*			trans	-145.1	124.9	150	54.8	0	0	0	0	110.1
246	S	35.1	Very low	33.6	Very low	87 Å²	87	154.1 Å²	154.1	61%	0.608	81%	0.809	S	S	*	*			trans	-132.9	154.1	179.5	64.5	0	0	0	0	109.3
247	P	44.8	Very low	34.3	Very low	129 Å²	129	156.9 Å²	156.9	84%	0.838	81%	0.811	S	S	*	*				-120.4	130.1	114.9	33.2	-30.4	0	0	0	110.3
248	R	34.8	Very low	34.4	Very low	215 Å²	215	154.1 Å²	154.1	81%	0.811	81%	0.808	S	S	*	*				71.8	69.1	60.3	-69.2	-168.2	179.5	-177.3	1.7	114.3
249	F	30.9	Very low	34.3	Very low	200 Å²	200	155.6 Å²	155.6	88%	0.877	81%	0.807	S	S	*	*			trans	-129.9	155.4	133.1	-85.3	-84.8	0	0	0	107.8
250	F	31.7	Very low	34.5	Very low	190 Å²	190	158.5 Å²	158.5	83%	0.833	81%	0.812	S	S	*	*			trans	98.3	83.3	-168	-61.3	-60.5	0	0	0	115.9
251	S	37	Very low	34.8	Very low	120 Å²	120	160.3 Å²	160.3	84%	0.839	82%	0.819	S	S	*	*			trans	-121.2	56.5	172.8	55.7	0	0	0	0	111.2
252	S	40	Very low	35.1	Very low	99 Å²	99	158 Å²	158	69%	0.692	81%	0.813	S	S	*	*			trans	-144.8	-1.9	-174.5	-47.9	0	0	0	0	115.5
253	I	42.5	Very low	34.9	Very low	124 Å²	124	162.8 Å²	162.8	64%	0.636	82%	0.819	S	S	*	*	S	Bend	trans	-115.9	36.2	-171.2	-41.1	-179.6	0	0	0	111.2
254	R	33.7	Very low	34.8	Very low	240 Å²	240	162 Å²	162	91%	0.906	81%	0.814	S	S	*	*	S	Bend	trans	-127.4	0	178.5	-149.6	171.6	-179.9	167.3	1.1	116.1
255	E	37.4	Very low	34.7	Very low	193 Å²	193	164 Å²	164	90%	0.902	82%	0.815	S	S	*	*	S	Bend	trans	-96.8	-12	174	-69.3	-172.4	123.6	0	0	114.2
256	M	33.3	Very low	34.6	Very low	148 Å²	148	166.2 Å²	166.2	73%	0.729	80%	0.804	S	S	*	*	S	Bend	trans	-86.9	-5.4	-176.1	-69.5	-162	-70.6	0	0	115.9
257	F	40.8	Very low	34.5	Very low	184 Å²	184	165.2 Å²	165.2	81%	0.807	80%	0.797	S	S	*	*	S	Bend	trans	-125.5	18.4	-166.5	-85.4	-73.1	0	0	0	117.5
258	E	32.6	Very low	34.2	Very low	177 Å²	177	167.7 Å²	167.7	83%	0.827	80%	0.802	S	S	*	*	S	Bend	trans	-135.7	85.8	163	-77.1	-163	-171.1	0	0	113.4
259	K	35.5	Very low	34.2	Very low	200 Å²	200	163.5 Å²	163.5	87%	0.87	79%	0.792	S	S	*	*			trans	165	102.7	132.9	-89.7	157.5	-171.8	171.9	0	112.5
260	R	30.7	Very low	34.7	Very low	251 Å²	251	159.7 Å²	159.7	95%	0.947	78%	0.777	S	S	*	*				-171.9	101.2	127.5	-102.6	162.5	-167.4	-165.6	2.8	110.5
261	R	34.9	Very low	34.7	Very low	255 Å²	255	157.8 Å²	157.8	96%	0.962	78%	0.775	S	S	*	*			trans	-71.9	138.4	161	-113.5	179.4	174.1	175.8	-2.9	107.8
262	G	36.8	Very low	34.9	Very low	61 Å²	61	156.4 Å²	156.4	63%	0.629	76%	0.758	S	S	*	*			trans	81.8	91.8	169.8	0	0	0	0	0	114.6
263	H	28.2	Very low	34.9	Very low	193 Å²	193	159.2 Å²	159.2	89%	0.894	76%	0.764	S	S	*	*				-149.4	164.1	106.2	-95.2	-73.2	0	0	0	108.4
264	S	27.7	Very low	35	Very low	109 Å²	109	156.9 Å²	156.9	76%	0.762	75%	0.75	S	S	*	*			trans	-65.9	135.3	178.6	-172.2	0	0	0	0	110.5	R266	S264-R266 PolarHBondContact O-N 2.76Å
265	V	29.4	Very low	35.5	Very low	142 Å²	142	149 Å²	149	86%	0.861	73%	0.73	S	S	*	*			trans	-77.7	78	166.9	-174.8	0	0	0	0	108.1
266	R	28.6	Very low	36.1	Very low	174 Å²	174	144.4 Å²	144.4	66%	0.657	72%	0.715	S	S	*	*			trans	-67.6	129.7	157	-150.5	172	179.8	146.6	-7.6	106.1	S264 E270	S264-R266 PolarHBondContact O-N 2.76Å; R266-E270 IonicContact CZ-OE1 3.19Å; R266-E270 IonicContact CZ-OE2 2.88Å; R266-E270 IonicContact NE-OE1 3.68Å; R266-E270 PolarHBondContact NE-OE1 3.31Å; R266-E270 IonicContact NE-OE2 3.4Å; R266-E270 PolarHBondContact NE-OE2 2.92Å; R266-E270 IonicContact NH2-OE1 3.92Å; R266-E270 PolarHBondContact NH2-OE1 2.87Å; R266-E270 IonicContact NH2-OE2 3.58Å; R266-E270 PolarHBondContact NH2-OE2 3.04Å
267	S	32.3	Very low	37.1	Very low	66 Å²	66	138.8 Å²	138.8	46%	0.462	69%	0.694	S	S	.	*			trans	-63.4	144.1	175.1	44.8	0	0	0	0	109.7	E269	S267-E269 WeakPolarHBondContact CB-OE2 3.44Å; S267-E269 PolarHBondContact O-N 3.43Å; S267-E269 PolarHBondContact OG-OE2 3.39Å
268	L	38.9	Very low	37.9	Very low	181 Å²	181	136 Å²	136	95%	0.948	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	73	165	-85.1	80.8	0	0	0	108.8
269	E	36	Very low	39.6	Very low	126 Å²	126	128.2 Å²	128.2	59%	0.589	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	-1.6	167.3	-72.3	172.8	122	0	0	111.5	S267 D271	S267-E269 WeakPolarHBondContact CB-OE2 3.44Å; S267-E269 PolarHBondContact O-N 3.43Å; S267-E269 PolarHBondContact OG-OE2 3.39Å; E269-D271 PolarHBondContact O-N 2.76Å
270	E	40.5	Very low	41	Very low	121 Å²	121	126.5 Å²	126.5	57%	0.565	65%	0.651	S	S	*	*			trans	-86.4	75.9	172.8	-68.3	178.1	168.6	0	0	110.3	R266	R266-E270 IonicContact CZ-OE1 3.19Å; R266-E270 IonicContact CZ-OE2 2.88Å; R266-E270 IonicContact NE-OE1 3.68Å; R266-E270 PolarHBondContact NE-OE1 3.31Å; R266-E270 IonicContact NE-OE2 3.4Å; R266-E270 PolarHBondContact NE-OE2 2.92Å; R266-E270 IonicContact NH2-OE1 3.92Å; R266-E270 PolarHBondContact NH2-OE1 2.87Å; R266-E270 IonicContact NH2-OE2 3.58Å; R266-E270 PolarHBondContact NH2-OE2 3.04Å
271	D	32.4	Very low	43.3	Very low	150 Å²	150	118.2 Å²	118.2	80%	0.802	63%	0.632	S	S	*	*			trans	-179.8	57.5	144.7	-94.7	-15.3	0	0	0	110.3	E269 L273	E269-D271 PolarHBondContact O-N 2.76Å; D271-L273 PolarHBondContact O-N 2.95Å
272	L	40.1	Very low	45.5	Very low	91 Å²	91	106.1 Å²	106.1	48%	0.476	59%	0.586	S	S	.	*			trans	-76.6	65.2	173.4	-72.7	173.9	0	0	0	111.7	F274 P394	L272-F274 PolarHBondContact O-N 2.92Å; L272-P394 HydrophobicContact CD1-CB 4.02Å; L272-P394 HydrophobicContact CD1-CG 3.68Å
273	L	39.8	Very low	47.8	Very low	157 Å²	157	108.5 Å²	108.5	82%	0.822	58%	0.576	S	S	*	*			trans	-64.4	102.1	158.1	-80.3	164.9	0	0	0	108.2	D271	D271-L273 PolarHBondContact O-N 2.95Å
274	F	46.1	Very low	50.6	Low	76 Å²	76	100.5 Å²	100.5	33%	0.333	54%	0.541	S	S	.	.			trans	-52.3	139.7	169.9	-52	-74.4	0	0	0	109.4	L272 V276 H350 C392	L272-F274 PolarHBondContact O-N 2.92Å; F274-V276 VanDerWaalsContact C-N 3.27Å; F274-V276 PolarHBondContact O-N 2.9Å; F274-H350 HydrophobicContact CD1-CB 3.63Å; F274-H350 AromaticContact CD1-CG 3.85Å; F274-H350 HydrophobicContact CE1-CB 4.14Å; F274-H350 AromaticContact CE1-CD2 3.82Å; F274-H350 AromaticContact CE1-CG 3.95Å; F274-C392 HydrophobicContact CZ-CB 4.23Å; F274-C392 WeakPolarHBondContact CZ-O 3.22Å
275	P	43.9	Very low	53.6	Low	75 Å²	75	95.5 Å²	95.5	49%	0.487	51%	0.506	S	S	.	.			trans	-68.1	89.7	172.8	28.7	-33.3	0	0	0	108.8	G277	P275-G277 PolarHBondContact O-N 2.88Å
276	V	50.6	Low	56.3	Low	96 Å²	96	93.1 Å²	93.1	58%	0.582	49%	0.492	S	S	*	.			trans	-67	103.4	177.5	-171	0	0	0	0	107.8	F274 I278	F274-V276 VanDerWaalsContact C-N 3.27Å; F274-V276 PolarHBondContact O-N 2.9Å; V276-I278 HydrophobicContact CB-CG1 4.12Å; V276-I278 HydrophobicContact CG1-CD1 4.46Å; V276-I278 HydrophobicContact CG1-CG1 3.6Å; V276-I278 PolarHBondContact O-N 2.85Å
277	G	53.6	Low	59.1	Low	29 Å²	29	91.5 Å²	91.5	30%	0.299	49%	0.485	S	S	.	.			trans	-66.8	81.2	166.8	0	0	0	0	0	109.5	P275 C279	P275-G277 PolarHBondContact O-N 2.88Å; G277-C279 VanDerWaalsContact C-N 3.33Å; G277-C279 PolarHBondContact O-N 3.48Å
278	I	57.8	Low	61.9	Low	126 Å²	126	90.5 Å²	90.5	65%	0.646	48%	0.477	S	S	*	.			trans	-72.8	90.5	177.8	-56.5	175	0	0	0	108.2	V276 L280	V276-I278 HydrophobicContact CB-CG1 4.12Å; V276-I278 HydrophobicContact CG1-CD1 4.46Å; V276-I278 HydrophobicContact CG1-CG1 3.6Å; V276-I278 PolarHBondContact O-N 2.85Å; I278-L280 HydrophobicContact CG2-CD2 3.92Å; I278-L280 HydrophobicContact CG2-CG 4.49Å; I278-L280 PolarHBondContact O-N 2.88Å
279	C	68.3	Low	64.4	Low	14 Å²	14	85 Å²	85	10%	0.095	45%	0.449	C	S	.	.			trans	-63.7	116.6	160.6	-168.8	0	0	0	0	108.3	G277 S281 A282 P518 L561 S562	G277-C279 VanDerWaalsContact C-N 3.33Å; G277-C279 PolarHBondContact O-N 3.48Å; C279-S281 VanDerWaalsContact C-N 3.33Å; C279-S281 PolarHBondContact SG-O 3.21Å; C279-S281 VanDerWaalsContact SG-O 3.4Å; C279-A282 PolarHBondContact SG-N 3.22Å; C279-P518 HydrophobicContact CB-CB 3.65Å; C279-P518 HydrophobicContact CB-CG 4.4Å; C279-L561 WeakPolarHBondContact CB-O 3.35Å; C279-S562 PolarHBondContact SG-O 2.72Å
280	L	65.2	Low	67	Low	164 Å²	164	81.6 Å²	81.6	86%	0.859	43%	0.432	S	S	*	.	S	Bend	trans	-80.5	-18.4	179.1	-67.7	171.9	0	0	0	112.7	I278	I278-L280 HydrophobicContact CG2-CD2 3.92Å; I278-L280 HydrophobicContact CG2-CG 4.49Å; I278-L280 PolarHBondContact O-N 2.88Å
281	S	77.6	Confident	69.6	Low	77 Å²	77	78.8 Å²	78.8	54%	0.538	42%	0.424	S	S	.	.	S	Bend	trans	-171.7	118.5	176.3	177.3	0	0	0	0	107.4	C279	C279-S281 VanDerWaalsContact C-N 3.33Å; C279-S281 PolarHBondContact SG-O 3.21Å; C279-S281 VanDerWaalsContact SG-O 3.4Å
282	A	82.9	Confident	72.5	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.008	39%	0.392	C	S	.	.			trans	-76.3	150.1	171.2	0	0	0	0	0	109.2	C279 D519 Y522 W559	C279-A282 PolarHBondContact SG-N 3.22Å; A282-D519 HydrophobicContact CB-CB 4.49Å; A282-D519 WeakPolarHBondContact CB-OD1 3.49Å; A282-D519 PolarHBondContact N-OD2 3.43Å; A282-Y522 HydrophobicContact CB-CD2 4.21Å; A282-Y522 HydrophobicContact CB-CE2 4.28Å; A282-Y522 WeakPolarHBondContact O-CE2 3.5Å; A282-W559 HydrophobicContact CB-CZ2 3.98Å
283	R	84.1	Confident	75	Confident	110 Å²	110	74.5 Å²	74.5	42%	0.415	40%	0.397	S	S	.	.			trans	-108	125.4	178.9	-55.3	-168.5	-159	161	14.6	110.1	P285 W559 G563 D580	R283-P285 VanDerWaalsContact O-CD 3.27Å; R283-P285 WeakPolarHBondContact O-CD 3.41Å; R283-P285 VanDerWaalsContact O-N 3.13Å; R283-W559 WeakPolarHBondContact O-CZ2 3.29Å; R283-G563 PolarHBondContact N-O 3.01Å; R283-D580 HydrophobicContact CB-CB 4.29Å; R283-D580 WeakPolarHBondContact CD-OD1 3.31Å; R283-D580 WeakPolarHBondContact CD-OD2 3.49Å; R283-D580 IonicContact CZ-OD2 2.76Å; R283-D580 IonicContact NE-OD2 3.78Å; R283-D580 IonicContact NH1-OD1 3.46Å; R283-D580 PolarHBondContact NH1-OD1 3.4Å; R283-D580 IonicContact NH1-OD2 2.75Å; R283-D580 PolarHBondContact NH1-OD2 2.9Å
284	V	87.8	Confident	77.5	Confident	26 Å²	26	67.1 Å²	67.1	16%	0.158	36%	0.359	C	S	.	.			trans	-59.3	116.6	174.8	-178.1	0	0	0	0	108.2	Y522 I534 A544	V284-Y522 HydrophobicContact CG2-CD1 3.8Å; V284-Y522 HydrophobicContact CG2-CD2 4.48Å; V284-Y522 HydrophobicContact CG2-CE1 3.43Å; V284-Y522 VanDerWaalsContact CG2-CE1 3.43Å; V284-Y522 HydrophobicContact CG2-CE2 4.19Å; V284-Y522 HydrophobicContact CG2-CG 4.3Å; V284-I534 HydrophobicContact CG1-CD1 4.24Å; V284-I534 HydrophobicContact CG1-CG2 4.4Å; V284-A544 HydrophobicContact CG1-CB 3.89Å
285	P	88.9	Confident	79.8	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.019	34%	0.344	C	S	.	.			trans	-64.2	147.5	177.9	26.4	-35.1	0	0	0	110.6	R283 I534 L546 F566 W578	R283-P285 VanDerWaalsContact O-CD 3.27Å; R283-P285 WeakPolarHBondContact O-CD 3.41Å; R283-P285 VanDerWaalsContact O-N 3.13Å; P285-I534 HydrophobicContact CG-CD1 3.6Å; P285-L546 HydrophobicContact CB-CD1 4.44Å; P285-L546 HydrophobicContact CG-CD1 3.99Å; P285-L546 HydrophobicContact CG-CD2 4.49Å; P285-L546 WeakPolarHBondContact O-CD2 3.14Å; P285-F566 HydrophobicContact CB-CB 4.3Å; P285-F566 HydrophobicContact CG-CB 3.97Å; P285-F566 HydrophobicContact CG-CD1 4.16Å; P285-F566 HydrophobicContact CG-CG 4.08Å; P285-W578 HydrophobicContact CB-CB 3.68Å; P285-W578 HydrophobicContact CG-CB 4.45Å
286	V	86.6	Confident	82.1	Confident	93 Å²	93	67.1 Å²	67.1	56%	0.564	35%	0.353	S	S	*	.			trans	-126.2	-31.1	-177.7	-172.3	0	0	0	0	111.7	S579	V286-S579 PolarHBondContact N-O 3.04Å
287	R	87.2	Confident	84.2	Confident	140 Å²	140	66.7 Å²	66.7	53%	0.528	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.3	-170.9	-68.6	173.9	175.2	161.5	-0.9	112.3	L289 W578 S579 I581	R287-L289 PolarHBondContact O-N 2.92Å; R287-W578 VanDerWaalsContact C-CE3 3.49Å; R287-W578 VanDerWaalsContact O-CA 3.27Å; R287-W578 WeakPolarHBondContact O-CA 3.35Å; R287-S579 PolarHBondContact N-O 2.97Å; R287-S579 PolarHBondContact O-N 3.25Å; R287-S579 VanDerWaalsContact O-N 3.08Å; R287-I581 WeakPolarHBondContact CD-O 3.47Å; R287-I581 PolarHBondContact NH1-OXT 3.32Å
288	P	91.7	Very high	86	Confident	45 Å²	45	65.9 Å²	65.9	29%	0.292	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.3	166.1	31.8	-29.8	0	0	0	108.4	Q549 V576 L577 W578	P288-Q549 HydrophobicContact CB-CG 4.21Å; P288-Q549 HydrophobicContact CG-CG 4.06Å; P288-V576 HydrophobicContact CB-CG1 3.71Å; P288-L577 CarbonylContact C-O 3.57Å; P288-L577 WeakPolarHBondContact CA-O 3.44Å; P288-W578 HydrophobicContact CB-CD2 4.39Å; P288-W578 HydrophobicContact CB-CE3 3.93Å; P288-W578 HydrophobicContact CB-CH2 4.25Å; P288-W578 HydrophobicContact CB-CZ3 3.84Å; P288-W578 HydrophobicContact CG-CE3 4.47Å; P288-W578 HydrophobicContact CG-CZ3 4.03Å
289	L	91	Very high	87.8	Confident	65 Å²	65	59.9 Å²	59.9	34%	0.34	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-37	173.3	-63	-173.2	0	0	0	111.3	R287 L577 S579	R287-L289 PolarHBondContact O-N 2.92Å; L289-L577 PolarHBondContact N-O 3.2Å; L289-S579 VanDerWaalsContact CD1-CB 3.49Å
290	Q	92	Very high	89.1	Confident	54 Å²	54	60.5 Å²	60.5	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	135	-178.3	-167.6	-176.2	9.8	0	0	110.9	L292 V576 L577	Q290-L292 HydrophobicContact CG-CD2 4.41Å; Q290-V576 WeakPolarHBondContact O-CA 3.41Å; Q290-L577 HydrophobicContact CB-CB 4.41Å; Q290-L577 PolarHBondContact N-O 2.97Å; Q290-L577 PolarHBondContact O-N 3.36Å
291	V	93.3	Very high	90.5	Very high	63 Å²	63	52.9 Å²	52.9	38%	0.382	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.1	167.3	-179.4	0	0	0	0	107.1	V576	V291-V576 HydrophobicContact CB-CG2 4.45Å; V291-V576 HydrophobicContact CG1-CG2 4.16Å; V291-V576 HydrophobicContact CG2-CG1 4.11Å; V291-V576 HydrophobicContact CG2-CG2 4.06Å
292	L	93.8	Very high	91.4	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.131	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.7	178.6	65.6	85.8	0	0	0	112.1	Q290 A294 W323 L330 R574 A575	Q290-L292 HydrophobicContact CG-CD2 4.41Å; L292-A294 HydrophobicContact CD1-CB 3.56Å; L292-A294 PolarHBondContact O-N 2.86Å; L292-W323 HydrophobicContact CD1-CH2 3.88Å; L292-W323 HydrophobicContact CD1-CZ2 4.27Å; L292-W323 HydrophobicContact CD1-CZ3 4.01Å; L292-W323 HydrophobicContact CD2-CE3 4.39Å; L292-W323 HydrophobicContact CD2-CZ3 4.28Å; L292-L330 HydrophobicContact CD2-CB 3.69Å; L292-L330 HydrophobicContact CD2-CD1 3.88Å; L292-L330 HydrophobicContact CD2-CG 4.34Å; L292-R574 CarbonylContact O-C 3.59Å; L292-R574 VanDerWaalsContact O-CA 3.31Å; L292-R574 WeakPolarHBondContact O-CA 3.38Å; L292-A575 HydrophobicContact CD1-CB 4Å; L292-A575 HydrophobicContact CG-CB 4.37Å; L292-A575 PolarHBondContact N-O 3Å; L292-A575 PolarHBondContact O-N 2.73Å
293	E	93.6	Very high	92	Very high	125 Å²	125	52.1 Å²	52.1	58%	0.584	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	97.8	171.5	-61	-165.7	164.9	0	0	108.3	R573 R574	E293-R573 CarbonylContact C-O 3.56Å; E293-R574 HydrophobicContact CG-CG 4.32Å; E293-R574 IonicContact OE1-NE 3.14Å
294	A	92	Very high	92.5	Very high	2 Å²	2	47.3 Å²	47.3	2%	0.017	24%	0.238	C	C	.	.			trans	-76.4	-39.5	-170.1	0	0	0	0	0	111.7	L292 I299 K321 W323 R573 A575	L292-A294 HydrophobicContact CD1-CB 3.56Å; L292-A294 PolarHBondContact O-N 2.86Å; A294-I299 HydrophobicContact CB-CD1 3.83Å; A294-K321 WeakPolarHBondContact O-CD 3.49Å; A294-K321 WeakPolarHBondContact O-CE 3.3Å; A294-K321 PolarHBondContact O-NZ 3.48Å; A294-W323 HydrophobicContact CB-CH2 4.15Å; A294-W323 HydrophobicContact CB-CZ2 3.57Å; A294-R573 PolarHBondContact N-O 3.11Å; A294-A575 HydrophobicContact CB-CB 4.12Å
295	H	94.3	Very high	92.7	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.037	23%	0.232	C	C	.	.			trans	-122.5	162.5	-168.5	-79.5	-93.1	0	0	0	112.2	Q297 I299 T313 D317 V319 R573	H295-Q297 VanDerWaalsContact C-N 3.25Å; H295-Q297 VanDerWaalsContact CB-O 3.23Å; H295-Q297 WeakPolarHBondContact CB-O 3.37Å; H295-I299 HydrophobicContact CB-CG1 4.12Å; H295-T313 PolarHBondContact CD2-OG1 3.04Å; H295-T313 PolarHBondContact CE1-O 3.41Å; H295-T313 VanDerWaalsContact NE2-CB 3.35Å; H295-T313 WeakPolarHBondContact NE2-CB 3.28Å; H295-T313 PolarHBondContact NE2-O 3.32Å; H295-T313 PolarHBondContact NE2-OG1 3.15Å; H295-D317 WeakPolarHBondContact CA-OD2 3.49Å; H295-D317 VanDerWaalsContact CB-OD2 3.24Å; H295-D317 WeakPolarHBondContact CB-OD2 3.44Å; H295-D317 IonicContact CE1-OD1 2.72Å; H295-D317 IonicContact CG-OD1 2.69Å; H295-D317 IonicContact CG-OD2 3.54Å; H295-D317 IonicContact ND1-OD1 3.44Å; H295-D317 PolarHBondContact ND1-OD1 3.47Å; H295-D317 IonicContact ND1-OD2 3.49Å; H295-D317 PolarHBondContact ND1-OD2 2.72Å; H295-V319 PolarHBondContact CE1-O 3.28Å; H295-R573 VanDerWaalsContact O-CB 3.28Å; H295-R573 WeakPolarHBondContact O-CB 3.28Å; H295-R573 WeakPolarHBondContact O-CG 3.44Å
296	E	92.4	Very high	92.5	Very high	144 Å²	144	48.9 Å²	48.9	67%	0.673	24%	0.243	S	C	*	.	S	Bend	trans	-78.8	-16.3	173.8	-68.2	-176.6	-167.9	0	0	112.1	D317 R573	E296-D317 HydrophobicContact CB-CB 4.12Å; E296-D317 PolarHBondContact N-OD2 2.88Å; E296-R573 PolarHBondContact O-NE 3.12Å; E296-R573 PolarHBondContact O-NH1 3.36Å; E296-R573 PolarHBondContact O-NH2 2.99Å
297	Q	94	Very high	92.3	Very high	86 Å²	86	46.8 Å²	46.8	40%	0.402	24%	0.24	S	C	.	.	S	Bend	trans	-138.5	-177	177.2	-53.8	179.3	19.9	0	0	110.9	H295 T316 D317 R573	H295-Q297 VanDerWaalsContact C-N 3.25Å; H295-Q297 VanDerWaalsContact CB-O 3.23Å; H295-Q297 WeakPolarHBondContact CB-O 3.37Å; Q297-T316 WeakPolarHBondContact CB-OG1 3.28Å; Q297-T316 VanDerWaalsContact OE1-C 3.31Å; Q297-T316 PolarHBondContact OE1-O 3.07Å; Q297-T316 PolarHBondContact OE1-OG1 3.17Å; Q297-D317 HydrophobicContact CB-CB 4.12Å; Q297-D317 HydrophobicContact CG-CB 3.99Å; Q297-R573 VanDerWaalsContact C-CG 3.41Å; Q297-R573 VanDerWaalsContact O-CG 3.23Å; Q297-R573 WeakPolarHBondContact O-CG 3.29Å
298	G	92.1	Very high	92.3	Very high	13 Å²	13	40.9 Å²	40.9	13%	0.134	22%	0.22	C	C	.	.			trans	-59	141.9	-176.5	0	0	0	0	0	113.3	G315 T316 R571	G298-G315 CarbonylContact O-C 3.54Å; G298-G315 WeakPolarHBondContact O-CA 3.42Å; G298-T316 PolarHBondContact O-N 2.91Å; G298-R571 WeakPolarHBondContact CA-O 3.45Å
299	I	95.8	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.4	178.6	-47.6	176.2	0	0	0	107.8	A294 H295 A301 G314 T555 V569 D570 A575	A294-I299 HydrophobicContact CB-CD1 3.83Å; H295-I299 HydrophobicContact CB-CG1 4.12Å; I299-A301 WeakPolarHBondContact CG2-O 3.11Å; I299-G314 WeakPolarHBondContact CG2-O 3.45Å; I299-T555 VanDerWaalsContact O-CB 3.3Å; I299-T555 WeakPolarHBondContact O-CB 3.26Å; I299-T555 VanDerWaalsContact O-CG2 3.26Å; I299-T555 WeakPolarHBondContact O-CG2 3.43Å; I299-T555 PolarHBondContact O-OG1 2.97Å; I299-V569 HydrophobicContact CB-CB 3.9Å; I299-V569 HydrophobicContact CB-CG2 4.1Å; I299-V569 HydrophobicContact CD1-CB 3.86Å; I299-V569 HydrophobicContact CD1-CG1 3.95Å; I299-V569 HydrophobicContact CG1-CB 4.46Å; I299-V569 HydrophobicContact CG2-CB 3.79Å; I299-V569 HydrophobicContact CG2-CG1 4.15Å; I299-V569 HydrophobicContact CG2-CG2 3.7Å; I299-D570 PolarHBondContact N-O 3.08Å; I299-A575 HydrophobicContact CD1-CB 4.37Å
300	N	94.8	Very high	92.3	Very high	26 Å²	26	41.7 Å²	41.7	14%	0.139	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-29.1	178	-70.2	-35.5	0	0	0	113	G314 T316 I343	N300-G314 PolarHBondContact N-O 3.06Å; N300-T316 VanDerWaalsContact ND2-CG2 3.3Å; N300-T316 WeakPolarHBondContact ND2-CG2 3.28Å; N300-I343 VanDerWaalsContact CB-O 3.27Å; N300-I343 WeakPolarHBondContact CB-O 3.47Å; N300-I343 PolarHBondContact ND2-O 2.67Å
301	A	94.7	Very high	92.4	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.1	-173.5	0	0	0	0	0	111.3	I299 T313 G314 V346	I299-A301 WeakPolarHBondContact CG2-O 3.11Å; A301-T313 WeakPolarHBondContact O-CA 3.27Å; A301-G314 PolarHBondContact N-O 3.31Å; A301-G314 PolarHBondContact O-N 3.4Å; A301-V346 HydrophobicContact CB-CB 4.37Å; A301-V346 HydrophobicContact CB-CG2 4.05Å
302	V	96.9	Very high	92.5	Very high	10 Å²	10	36.1 Å²	36.1	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	139	168.7	62.1	0	0	0	0	108.9	L311 A312 T313 A556 V567 V569	V302-L311 HydrophobicContact CG2-CD1 3.59Å; V302-L311 HydrophobicContact CG2-CD2 4.38Å; V302-L311 HydrophobicContact CG2-CG 4.08Å; V302-A312 WeakPolarHBondContact CA-O 3.23Å; V302-T313 HydrophobicContact CB-CG2 4.37Å; V302-T313 HydrophobicContact CG2-CG2 3.94Å; V302-A556 HydrophobicContact CG1-CB 3.93Å; V302-V567 HydrophobicContact CG2-CB 4.44Å; V302-V567 HydrophobicContact CG2-CG1 3.93Å; V302-V569 HydrophobicContact CB-CG1 3.89Å; V302-V569 HydrophobicContact CB-CG2 3.93Å; V302-V569 HydrophobicContact CG1-CB 4.49Å; V302-V569 HydrophobicContact CG1-CG1 4.05Å; V302-V569 HydrophobicContact CG1-CG2 3.64Å; V302-V569 HydrophobicContact CG2-CG1 4.2Å
303	R	95.8	Very high	92.7	Very high	52 Å²	52	34.9 Å²	34.9	20%	0.196	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	139.9	169.6	-156.9	80.2	-159.6	-169.9	3.6	110.3	A312 E347 F348 D469 S558	R303-A312 PolarHBondContact N-O 3.35Å; R303-A312 PolarHBondContact O-N 3.44Å; R303-E347 IonicContact NE-OE2 2.78Å; R303-F348 WeakPolarHBondContact O-CE2 3.46Å; R303-D469 IonicContact CZ-OD1 3.97Å; R303-D469 IonicContact NH1-OD1 3.53Å; R303-D469 PolarHBondContact NH1-OD1 2.89Å; R303-D469 IonicContact NH1-OD2 3.71Å; R303-D469 IonicContact NH2-OD1 3.95Å; R303-D469 PolarHBondContact NH2-OD1 2.97Å; R303-D469 IonicContact NH2-OD2 3.45Å; R303-S558 WeakPolarHBondContact CA-OG 3.35Å
304	F	94.3	Very high	92.8	Very high	9 Å²	9	29 Å²	29	4%	0.039	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	150.9	162	-80.7	-88.9	0	0	0	111.4	L311 V325 S558 W559 S560 H565 V567 L577	F304-L311 HydrophobicContact CD1-CD1 4Å; F304-L311 HydrophobicContact CD2-CD1 3.73Å; F304-L311 HydrophobicContact CE1-CD1 4.03Å; F304-L311 HydrophobicContact CE2-CD1 3.76Å; F304-L311 HydrophobicContact CG-CD1 3.87Å; F304-L311 HydrophobicContact CZ-CD1 3.92Å; F304-V325 HydrophobicContact CD1-CG2 4.49Å; F304-V325 HydrophobicContact CE1-CG1 4.28Å; F304-V325 HydrophobicContact CE1-CG2 4.02Å; F304-S558 WeakPolarHBondContact CE2-O 3.45Å; F304-S558 PolarHBondContact N-OG 3.43Å; F304-S558 VanDerWaalsContact N-OG 3.17Å; F304-W559 VanDerWaalsContact CD2-C 3.42Å; F304-S560 VanDerWaalsContact CD2-N 3.31Å; F304-H565 HydrophobicContact CE1-CB 4.33Å; F304-H565 HydrophobicContact CZ-CB 3.96Å; F304-V567 HydrophobicContact CE2-CB 4.06Å; F304-V567 HydrophobicContact CE2-CG2 3.7Å; F304-V567 HydrophobicContact CZ-CB 4.48Å; F304-V567 HydrophobicContact CZ-CG2 3.63Å; F304-L577 HydrophobicContact CZ-CD1 4.48Å
305	S	91.8	Very high	92.9	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.042	16%	0.157	C	C	.	.			trans	-72.3	160.9	166	62.3	0	0	0	0	111.9	G307 S308 L310	S305-G307 PolarHBondContact O-N 3.05Å; S305-S308 PolarHBondContact O-N 3.31Å; S305-L310 WeakPolarHBondContact CB-O 3.29Å; S305-L310 PolarHBondContact N-O 2.76Å; S305-L310 WeakPolarHBondContact OG-CB 3.24Å; S305-L310 PolarHBondContact OG-N 2.69Å; S305-L310 VanDerWaalsContact OG-N 3.12Å; S305-L310 PolarHBondContact OG-O 2.77Å
306	F	84.8	Confident	92.9	Very high	55 Å²	55	30.6 Å²	30.6	24%	0.241	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.7	178.7	-77.8	-96.7	0	0	0	113.9	S308 F348 D349 H350 L561	F306-S308 VanDerWaalsContact C-N 3.34Å; F306-F348 HydrophobicContact CD2-CB 4.36Å; F306-D349 WeakPolarHBondContact CD2-O 3.27Å; F306-H350 AromaticContact CE1-ND1 3.96Å; F306-H350 HydrophobicContact CE2-CB 4.46Å; F306-H350 HydrophobicContact CZ-CB 4.39Å; F306-H350 AromaticContact CZ-ND1 3.42Å; F306-H350 WeakPolarHBondContact CZ-ND1 3.23Å; F306-L561 HydrophobicContact CB-CD1 4.28Å; F306-L561 HydrophobicContact CD1-CD1 3.59Å; F306-L561 HydrophobicContact CE1-CD1 4.2Å; F306-L561 HydrophobicContact CG-CD1 4.13Å
307	G	82.6	Confident	92.9	Very high	50 Å²	50	24.7 Å²	24.7	52%	0.515	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.1	174.5	0	0	0	0	0	114.7	S305 D309	S305-G307 PolarHBondContact O-N 3.05Å; G307-D309 PolarHBondContact O-N 2.65Å
308	S	87	Confident	92.9	Very high	15 Å²	15	27 Å²	27	11%	0.105	15%	0.147	C	C	.	.	S	Bend	trans	62.3	-20.5	-169.9	-51.4	0	0	0	0	116.6	S305 F306 L310 L561 S562	S305-S308 PolarHBondContact O-N 3.31Å; F306-S308 VanDerWaalsContact C-N 3.34Å; S308-L310 PolarHBondContact O-N 3.14Å; S308-L310 VanDerWaalsContact O-N 3.12Å; S308-L561 PolarHBondContact OG-N 3.33Å; S308-S562 PolarHBondContact OG-N 3.27Å
309	D	89.1	Confident	93	Very high	113 Å²	113	27.4 Å²	27.4	60%	0.604	15%	0.146	S	C	*	.	S	Bend	trans	-56.1	-25.1	177.1	-62.6	-44.2	0	0	0	114.8	G307 V325	G307-D309 PolarHBondContact O-N 2.65Å; D309-V325 PolarHBondContact O-N 3.32Å
310	L	92.8	Very high	93	Very high	14 Å²	14	27.4 Å²	27.4	7%	0.073	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.4	-177.7	-80.1	168.5	0	0	0	112.1	S305 S308 W323 D324 F348 L369	S305-L310 WeakPolarHBondContact CB-O 3.29Å; S305-L310 PolarHBondContact N-O 2.76Å; S305-L310 WeakPolarHBondContact OG-CB 3.24Å; S305-L310 PolarHBondContact OG-N 2.69Å; S305-L310 VanDerWaalsContact OG-N 3.12Å; S305-L310 PolarHBondContact OG-O 2.77Å; S308-L310 PolarHBondContact O-N 3.14Å; S308-L310 VanDerWaalsContact O-N 3.12Å; L310-W323 WeakPolarHBondContact CA-O 3.48Å; L310-D324 WeakPolarHBondContact CD2-OD1 3.5Å; L310-F348 HydrophobicContact CB-CE1 4.3Å; L310-F348 HydrophobicContact CB-CZ 4.1Å; L310-L369 HydrophobicContact CD1-CD1 3.47Å; L310-L369 VanDerWaalsContact CD1-CD1 3.47Å
311	L	95	Very high	93	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.5	169.8	-177.3	81.9	0	0	0	109.2	V302 F304 T313 L322 W323 V325 L330 V567	V302-L311 HydrophobicContact CG2-CD1 3.59Å; V302-L311 HydrophobicContact CG2-CD2 4.38Å; V302-L311 HydrophobicContact CG2-CG 4.08Å; F304-L311 HydrophobicContact CD1-CD1 4Å; F304-L311 HydrophobicContact CD2-CD1 3.73Å; F304-L311 HydrophobicContact CE1-CD1 4.03Å; F304-L311 HydrophobicContact CE2-CD1 3.76Å; F304-L311 HydrophobicContact CG-CD1 3.87Å; F304-L311 HydrophobicContact CZ-CD1 3.92Å; L311-T313 HydrophobicContact CD2-CG2 4.3Å; L311-L322 WeakPolarHBondContact O-CA 3.47Å; L311-W323 HydrophobicContact CB-CB 4.31Å; L311-W323 PolarHBondContact N-O 3.48Å; L311-W323 PolarHBondContact O-N 2.9Å; L311-V325 HydrophobicContact CB-CG2 3.8Å; L311-L330 HydrophobicContact CB-CD2 4.47Å; L311-L330 HydrophobicContact CD2-CD1 3.8Å; L311-L330 HydrophobicContact CD2-CD2 3.87Å; L311-V567 HydrophobicContact CD1-CB 4.24Å; L311-V567 HydrophobicContact CD1-CG1 4.49Å; L311-V567 HydrophobicContact CD1-CG2 4.01Å; L311-V567 HydrophobicContact CD2-CG1 4.19Å; L311-V567 HydrophobicContact CD2-CG2 4.03Å
312	A	95.8	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.6	171.1	0	0	0	0	0	111	V302 R303 I320 K321 L322 V346 F348 I355	V302-A312 WeakPolarHBondContact CA-O 3.23Å; R303-A312 PolarHBondContact N-O 3.35Å; R303-A312 PolarHBondContact O-N 3.44Å; A312-I320 HydrophobicContact CB-CG2 4.17Å; A312-K321 WeakPolarHBondContact CA-O 3.29Å; A312-L322 HydrophobicContact CB-CD2 3.64Å; A312-V346 HydrophobicContact CB-CG1 3.77Å; A312-F348 HydrophobicContact CB-CE2 3.56Å; A312-F348 HydrophobicContact CB-CZ 3.74Å; A312-I355 HydrophobicContact CB-CD1 4.13Å
313	T	96.7	Very high	92.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.7	175.2	56.4	0	0	0	0	110.3	H295 A301 V302 L311 I320 K321 W323 V569	H295-T313 PolarHBondContact CD2-OG1 3.04Å; H295-T313 PolarHBondContact CE1-O 3.41Å; H295-T313 VanDerWaalsContact NE2-CB 3.35Å; H295-T313 WeakPolarHBondContact NE2-CB 3.28Å; H295-T313 PolarHBondContact NE2-O 3.32Å; H295-T313 PolarHBondContact NE2-OG1 3.15Å; A301-T313 WeakPolarHBondContact O-CA 3.27Å; V302-T313 HydrophobicContact CB-CG2 4.37Å; V302-T313 HydrophobicContact CG2-CG2 3.94Å; L311-T313 HydrophobicContact CD2-CG2 4.3Å; T313-I320 CarbonylContact O-C 3.58Å; T313-I320 VanDerWaalsContact O-CA 3.27Å; T313-I320 WeakPolarHBondContact O-CA 3.46Å; T313-I320 WeakPolarHBondContact O-CG2 3.48Å; T313-K321 PolarHBondContact N-O 3.1Å; T313-K321 PolarHBondContact O-N 3.26Å; T313-K321 PolarHBondContact OG1-O 3.4Å; T313-W323 PolarHBondContact OG1-NE1 3.05Å; T313-V569 HydrophobicContact CG2-CG1 4.36Å
314	G	95.5	Very high	92.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.7	179.4	0	0	0	0	0	112	I299 N300 A301	I299-G314 WeakPolarHBondContact CG2-O 3.45Å; N300-G314 PolarHBondContact N-O 3.06Å; A301-G314 PolarHBondContact N-O 3.31Å; A301-G314 PolarHBondContact O-N 3.4Å
315	G	94.6	Very high	92.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	171.5	-172.9	0	0	0	0	0	115.6	G298 D317 R318 V319 I343	G298-G315 CarbonylContact O-C 3.54Å; G298-G315 WeakPolarHBondContact O-CA 3.42Å; G315-D317 WeakPolarHBondContact CA-OD1 3.42Å; G315-D317 PolarHBondContact O-N 2.9Å; G315-R318 PolarHBondContact O-N 3.18Å; G315-V319 PolarHBondContact N-O 2.83Å; G315-I343 PolarHBondContact O-N 3.45Å
316	T	94.8	Very high	92.4	Very high	44 Å²	44	34.3 Å²	34.3	27%	0.27	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.3	168.4	64.5	0	0	0	0	112.8	Q297 G298 N300 R318	Q297-T316 WeakPolarHBondContact CB-OG1 3.28Å; Q297-T316 VanDerWaalsContact OE1-C 3.31Å; Q297-T316 PolarHBondContact OE1-O 3.07Å; Q297-T316 PolarHBondContact OE1-OG1 3.17Å; G298-T316 PolarHBondContact O-N 2.91Å; N300-T316 VanDerWaalsContact ND2-CG2 3.3Å; N300-T316 WeakPolarHBondContact ND2-CG2 3.28Å; T316-R318 PolarHBondContact O-N 3.06Å; T316-R318 VanDerWaalsContact O-N 3.14Å
317	D	93.2	Very high	92.2	Very high	20 Å²	20	37.1 Å²	37.1	11%	0.107	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	7.9	165.5	65.8	-9.1	0	0	0	113.4	H295 E296 Q297 G315 V319	H295-D317 WeakPolarHBondContact CA-OD2 3.49Å; H295-D317 VanDerWaalsContact CB-OD2 3.24Å; H295-D317 WeakPolarHBondContact CB-OD2 3.44Å; H295-D317 IonicContact CE1-OD1 2.72Å; H295-D317 IonicContact CG-OD1 2.69Å; H295-D317 IonicContact CG-OD2 3.54Å; H295-D317 IonicContact ND1-OD1 3.44Å; H295-D317 PolarHBondContact ND1-OD1 3.47Å; H295-D317 IonicContact ND1-OD2 3.49Å; H295-D317 PolarHBondContact ND1-OD2 2.72Å; E296-D317 HydrophobicContact CB-CB 4.12Å; E296-D317 PolarHBondContact N-OD2 2.88Å; Q297-D317 HydrophobicContact CB-CB 4.12Å; Q297-D317 HydrophobicContact CG-CB 3.99Å; G315-D317 WeakPolarHBondContact CA-OD1 3.42Å; G315-D317 PolarHBondContact O-N 2.9Å; D317-V319 PolarHBondContact O-N 3.4Å; D317-V319 VanDerWaalsContact O-N 3.09Å
318	R	93.6	Very high	92.1	Very high	135 Å²	135	35.5 Å²	35.5	51%	0.509	19%	0.187	S	C	.	.	S	Bend	trans	74.3	-10.2	166.5	-41.3	174.2	-179	172.6	1	115.1	G315 T316 S339 T340 E341	G315-R318 PolarHBondContact O-N 3.18Å; T316-R318 PolarHBondContact O-N 3.06Å; T316-R318 VanDerWaalsContact O-N 3.14Å; R318-S339 WeakPolarHBondContact O-CB 3.47Å; R318-T340 WeakPolarHBondContact CD-O 2.97Å; R318-T340 PolarHBondContact NE-O 3.17Å; R318-E341 WeakPolarHBondContact CB-O 3.44Å
319	V	93.6	Very high	92.2	Very high	21 Å²	21	37 Å²	37	13%	0.127	20%	0.198	C	C	.	.			trans	-94.9	159.2	177.5	-63.2	0	0	0	0	112.3	H295 G315 D317 K321 T335 D337	H295-V319 PolarHBondContact CE1-O 3.28Å; G315-V319 PolarHBondContact N-O 2.83Å; D317-V319 PolarHBondContact O-N 3.4Å; D317-V319 VanDerWaalsContact O-N 3.09Å; V319-K321 HydrophobicContact CG2-CG 4.26Å; V319-T335 HydrophobicContact CB-CG2 3.65Å; V319-T335 HydrophobicContact CG1-CG2 3.87Å; V319-T335 HydrophobicContact CG2-CG2 3.99Å; V319-D337 HydrophobicContact CG1-CB 4.35Å
320	I	95.4	Very high	92.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.5	164	-53	168.6	0	0	0	107.3	A312 T313 L322 T335 L336 I343 V346 I355 A357 W367	A312-I320 HydrophobicContact CB-CG2 4.17Å; T313-I320 CarbonylContact O-C 3.58Å; T313-I320 VanDerWaalsContact O-CA 3.27Å; T313-I320 WeakPolarHBondContact O-CA 3.46Å; T313-I320 WeakPolarHBondContact O-CG2 3.48Å; I320-L322 HydrophobicContact CG2-CD2 4.07Å; I320-T335 WeakPolarHBondContact O-CA 3.35Å; I320-L336 HydrophobicContact CB-CB 4.24Å; I320-L336 PolarHBondContact N-O 2.77Å; I320-L336 PolarHBondContact O-N 2.94Å; I320-I343 HydrophobicContact CD1-CD1 4.49Å; I320-I343 HydrophobicContact CG1-CD1 4.14Å; I320-I343 HydrophobicContact CG1-CG1 3.96Å; I320-I343 HydrophobicContact CG1-CG2 4.41Å; I320-V346 HydrophobicContact CD1-CG2 4.28Å; I320-V346 HydrophobicContact CG1-CG2 4.3Å; I320-V346 HydrophobicContact CG2-CG1 4.23Å; I320-V346 HydrophobicContact CG2-CG2 4.38Å; I320-I355 HydrophobicContact CD1-CG2 4.25Å; I320-A357 HydrophobicContact CD1-CB 3.45Å; I320-A357 VanDerWaalsContact CD1-CB 3.45Å; I320-A357 HydrophobicContact CG1-CB 4.47Å; I320-W367 HydrophobicContact CD1-CE3 3.98Å; I320-W367 HydrophobicContact CD1-CH2 3.47Å; I320-W367 VanDerWaalsContact CD1-CH2 3.47Å; I320-W367 HydrophobicContact CD1-CZ2 4.2Å; I320-W367 HydrophobicContact CD1-CZ3 3.36Å; I320-W367 HydrophobicContact CG1-CH2 4.41Å
321	K	95.3	Very high	92.3	Very high	35 Å²	35	34.6 Å²	34.6	15%	0.152	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	135.4	176.1	-68.2	177.5	-174.7	-172	0	109.8	A294 A312 T313 V319 W323 T335	A294-K321 WeakPolarHBondContact O-CD 3.49Å; A294-K321 WeakPolarHBondContact O-CE 3.3Å; A294-K321 PolarHBondContact O-NZ 3.48Å; A312-K321 WeakPolarHBondContact CA-O 3.29Å; T313-K321 PolarHBondContact N-O 3.1Å; T313-K321 PolarHBondContact O-N 3.26Å; T313-K321 PolarHBondContact OG1-O 3.4Å; V319-K321 HydrophobicContact CG2-CG 4.26Å; K321-W323 HydrophobicContact CB-CZ2 3.87Å; K321-W323 HydrophobicContact CD-CZ2 4.07Å; K321-W323 PolarHBondContact O-NE1 2.76Å; K321-T335 HydrophobicContact CG-CG2 4.17Å
322	L	95.1	Very high	92.2	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.4	-180	-52.6	-171	0	0	0	109.5	L311 A312 I320 R333 A334 L336 I355 L369	L311-L322 WeakPolarHBondContact O-CA 3.47Å; A312-L322 HydrophobicContact CB-CD2 3.64Å; I320-L322 HydrophobicContact CG2-CD2 4.07Å; L322-R333 PolarHBondContact O-N 3.18Å; L322-A334 HydrophobicContact CB-CB 4.34Å; L322-A334 HydrophobicContact CD1-CB 4.28Å; L322-A334 HydrophobicContact CG-CB 4.46Å; L322-A334 PolarHBondContact N-O 3.22Å; L322-A334 PolarHBondContact O-N 3.21Å; L322-L336 HydrophobicContact CD1-CD1 4.06Å; L322-L336 HydrophobicContact CD1-CG 4.22Å; L322-L336 HydrophobicContact CD2-CD1 4.25Å; L322-L336 HydrophobicContact CG-CD1 4.32Å; L322-L336 HydrophobicContact CG-CG 4.36Å; L322-I355 HydrophobicContact CD1-CD1 4.03Å; L322-I355 HydrophobicContact CD2-CD1 3.31Å; L322-I355 HydrophobicContact CG-CD1 4.33Å; L322-L369 HydrophobicContact CD1-CD2 3.58Å
323	W	95.2	Very high	92	Very high	22 Å²	22	45.1 Å²	45.1	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.8	-177.4	-45.2	81	0	0	0	108.2	L292 A294 L310 L311 T313 K321 L330 T331 H332	L292-W323 HydrophobicContact CD1-CH2 3.88Å; L292-W323 HydrophobicContact CD1-CZ2 4.27Å; L292-W323 HydrophobicContact CD1-CZ3 4.01Å; L292-W323 HydrophobicContact CD2-CE3 4.39Å; L292-W323 HydrophobicContact CD2-CZ3 4.28Å; A294-W323 HydrophobicContact CB-CH2 4.15Å; A294-W323 HydrophobicContact CB-CZ2 3.57Å; L310-W323 WeakPolarHBondContact CA-O 3.48Å; L311-W323 HydrophobicContact CB-CB 4.31Å; L311-W323 PolarHBondContact N-O 3.48Å; L311-W323 PolarHBondContact O-N 2.9Å; T313-W323 PolarHBondContact OG1-NE1 3.05Å; K321-W323 HydrophobicContact CB-CZ2 3.87Å; K321-W323 HydrophobicContact CD-CZ2 4.07Å; K321-W323 PolarHBondContact O-NE1 2.76Å; W323-L330 HydrophobicContact CB-CB 4.3Å; W323-L330 HydrophobicContact CB-CD2 4.35Å; W323-L330 HydrophobicContact CE3-CB 4.4Å; W323-T331 CarbonylContact C-O 3.52Å; W323-T331 VanDerWaalsContact CA-O 3.24Å; W323-T331 WeakPolarHBondContact CA-O 3.37Å; W323-H332 HydrophobicContact CE3-CB 3.92Å; W323-H332 HydrophobicContact CH2-CB 4.31Å; W323-H332 HydrophobicContact CZ3-CB 3.71Å
324	D	93.5	Very high	91.8	Very high	17 Å²	17	46.7 Å²	46.7	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134	164.4	-92.9	8.5	0	0	0	107.6	L310 R326 T331 R333	L310-D324 WeakPolarHBondContact CD2-OD1 3.5Å; D324-R326 IonicContact OD2-CZ 3.64Å; D324-R326 IonicContact OD2-NE 3.73Å; D324-R326 PolarHBondContact OD2-NE 3.11Å; D324-R326 IonicContact OD2-NH2 2.77Å; D324-R326 PolarHBondContact OD2-NH2 3.48Å; D324-T331 PolarHBondContact N-O 2.86Å; D324-T331 PolarHBondContact O-N 2.84Å; D324-T331 PolarHBondContact O-OG1 2.81Å; D324-R333 WeakPolarHBondContact OD1-CD 3.22Å; D324-R333 IonicContact OD1-CZ 2.83Å; D324-R333 IonicContact OD1-NE 2.64Å; D324-R333 IonicContact OD1-NH1 2.9Å; D324-R333 PolarHBondContact OD1-NH1 3.27Å; D324-R333 IonicContact OD2-NH1 3.79Å
325	V	91	Very high	91.6	Very high	11 Å²	11	49.4 Å²	49.4	7%	0.067	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	106.7	-177.9	-167.5	0	0	0	0	107.8	F304 D309 L311 L330	F304-V325 HydrophobicContact CD1-CG2 4.49Å; F304-V325 HydrophobicContact CE1-CG1 4.28Å; F304-V325 HydrophobicContact CE1-CG2 4.02Å; D309-V325 PolarHBondContact O-N 3.32Å; L311-V325 HydrophobicContact CB-CG2 3.8Å; V325-L330 HydrophobicContact CB-CD2 4.27Å; V325-L330 HydrophobicContact CG1-CD2 4.03Å; V325-L330 HydrophobicContact CG2-CD2 3.73Å
326	R	86.6	Confident	91.5	Very high	165 Å²	165	49.7 Å²	49.7	62%	0.623	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	128.1	-175.7	-60.3	-171.9	-168.2	-174	6.9	111.5	D324 G328 S329	D324-R326 IonicContact OD2-CZ 3.64Å; D324-R326 IonicContact OD2-NE 3.73Å; D324-R326 PolarHBondContact OD2-NE 3.11Å; D324-R326 IonicContact OD2-NH2 2.77Å; D324-R326 PolarHBondContact OD2-NH2 3.48Å; R326-G328 PolarHBondContact O-N 3.4Å; R326-G328 VanDerWaalsContact O-N 3.17Å; R326-S329 PolarHBondContact N-O 3.22Å; R326-S329 PolarHBondContact O-N 3.26Å
327	A	80.2	Confident	91.1	Very high	115 Å²	115	52.2 Å²	52.2	95%	0.95	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	42.1	174.6	0	0	0	0	0	114.1
328	G	80.7	Confident	90.6	Very high	15 Å²	15	53.2 Å²	53.2	16%	0.155	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	14	-179.9	0	0	0	0	0	115.7	R326 L577	R326-G328 PolarHBondContact O-N 3.4Å; R326-G328 VanDerWaalsContact O-N 3.17Å; G328-L577 WeakPolarHBondContact O-CD2 3.47Å
329	S	88.5	Confident	90.3	Very high	46 Å²	46	47.2 Å²	47.2	32%	0.322	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143	176.8	-173.6	0	0	0	0	111.9	R326	R326-S329 PolarHBondContact N-O 3.22Å; R326-S329 PolarHBondContact O-N 3.26Å
330	L	91.8	Very high	90	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.037	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.2	170.3	-62	179.6	0	0	0	109.1	L292 L311 W323 V325 L577	L292-L330 HydrophobicContact CD2-CB 3.69Å; L292-L330 HydrophobicContact CD2-CD1 3.88Å; L292-L330 HydrophobicContact CD2-CG 4.34Å; L311-L330 HydrophobicContact CB-CD2 4.47Å; L311-L330 HydrophobicContact CD2-CD1 3.8Å; L311-L330 HydrophobicContact CD2-CD2 3.87Å; W323-L330 HydrophobicContact CB-CB 4.3Å; W323-L330 HydrophobicContact CB-CD2 4.35Å; W323-L330 HydrophobicContact CE3-CB 4.4Å; V325-L330 HydrophobicContact CB-CD2 4.27Å; V325-L330 HydrophobicContact CG1-CD2 4.03Å; V325-L330 HydrophobicContact CG2-CD2 3.73Å; L330-L577 HydrophobicContact CD1-CB 4.06Å; L330-L577 HydrophobicContact CD2-CD2 4.28Å; L330-L577 HydrophobicContact CG-CB 4.21Å; L330-L577 HydrophobicContact CG-CD2 4.03Å
331	T	92.6	Very high	89.9	Confident	71 Å²	71	54.8 Å²	54.8	44%	0.436	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.9	173.5	51.8	0	0	0	0	110.4	W323 D324 R333	W323-T331 CarbonylContact C-O 3.52Å; W323-T331 VanDerWaalsContact CA-O 3.24Å; W323-T331 WeakPolarHBondContact CA-O 3.37Å; D324-T331 PolarHBondContact N-O 2.86Å; D324-T331 PolarHBondContact O-N 2.84Å; D324-T331 PolarHBondContact O-OG1 2.81Å; T331-R333 PolarHBondContact O-N 3.23Å
332	H	93.1	Very high	89.8	Confident	96 Å²	96	53.4 Å²	53.4	44%	0.444	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	129.3	176.3	-178.6	-101.7	0	0	0	110.1	W323 A334 T335	W323-H332 HydrophobicContact CE3-CB 3.92Å; W323-H332 HydrophobicContact CH2-CB 4.31Å; W323-H332 HydrophobicContact CZ3-CB 3.71Å; H332-A334 VanDerWaalsContact NE2-C 3.33Å; H332-A334 PolarHBondContact NE2-O 3.14Å; H332-T335 PolarHBondContact CE1-OG1 2.84Å; H332-T335 PolarHBondContact NE2-OG1 2.77Å
333	R	91.7	Very high	89.8	Confident	125 Å²	125	53.3 Å²	53.3	47%	0.472	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-42	-177.7	167.9	168.8	165.8	175.6	-1.7	112.6	L322 D324 T331	L322-R333 PolarHBondContact O-N 3.18Å; D324-R333 WeakPolarHBondContact OD1-CD 3.22Å; D324-R333 IonicContact OD1-CZ 2.83Å; D324-R333 IonicContact OD1-NE 2.64Å; D324-R333 IonicContact OD1-NH1 2.9Å; D324-R333 PolarHBondContact OD1-NH1 3.27Å; D324-R333 IonicContact OD2-NH1 3.79Å; T331-R333 PolarHBondContact O-N 3.23Å
334	A	91.9	Very high	89.8	Confident	32 Å²	32	52.9 Å²	52.9	26%	0.264	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	156.4	-177.3	0	0	0	0	0	111.7	L322 H332	L322-A334 HydrophobicContact CB-CB 4.34Å; L322-A334 HydrophobicContact CD1-CB 4.28Å; L322-A334 HydrophobicContact CG-CB 4.46Å; L322-A334 PolarHBondContact N-O 3.22Å; L322-A334 PolarHBondContact O-N 3.21Å; H332-A334 VanDerWaalsContact NE2-C 3.33Å; H332-A334 PolarHBondContact NE2-O 3.14Å
335	T	92.6	Very high	89.9	Confident	58 Å²	58	52.5 Å²	52.5	36%	0.356	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.8	166.5	-56.3	0	0	0	0	107.6	V319 I320 K321 H332	V319-T335 HydrophobicContact CB-CG2 3.65Å; V319-T335 HydrophobicContact CG1-CG2 3.87Å; V319-T335 HydrophobicContact CG2-CG2 3.99Å; I320-T335 WeakPolarHBondContact O-CA 3.35Å; K321-T335 HydrophobicContact CG-CG2 4.17Å; H332-T335 PolarHBondContact CE1-OG1 2.84Å; H332-T335 PolarHBondContact NE2-OG1 2.77Å
336	L	90.8	Very high	90.1	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.9	172.4	-56	176.5	0	0	0	108	I320 L322 I355 W367	I320-L336 HydrophobicContact CB-CB 4.24Å; I320-L336 PolarHBondContact N-O 2.77Å; I320-L336 PolarHBondContact O-N 2.94Å; L322-L336 HydrophobicContact CD1-CD1 4.06Å; L322-L336 HydrophobicContact CD1-CG 4.22Å; L322-L336 HydrophobicContact CD2-CD1 4.25Å; L322-L336 HydrophobicContact CG-CD1 4.32Å; L322-L336 HydrophobicContact CG-CG 4.36Å; L336-I355 HydrophobicContact CD1-CD1 4.13Å; L336-W367 HydrophobicContact CB-CD2 4.32Å; L336-W367 HydrophobicContact CB-CG 4.23Å; L336-W367 HydrophobicContact CD1-CB 3.88Å; L336-W367 HydrophobicContact CD1-CD2 4.16Å; L336-W367 HydrophobicContact CD1-CG 3.84Å; L336-W367 HydrophobicContact CD2-CB 4.42Å; L336-W367 HydrophobicContact CD2-CG 4.31Å; L336-W367 HydrophobicContact CG-CG 4.36Å
337	D	87.5	Confident	90.5	Very high	97 Å²	97	45.7 Å²	45.7	52%	0.519	28%	0.277	S	S	.	.			trans	-111.7	177.3	179.4	-167	10.8	0	0	0	110.2	V319 W367 P374	V319-D337 HydrophobicContact CG1-CB 4.35Å; D337-W367 PolarHBondContact O-NE1 3.44Å; D337-P374 WeakPolarHBondContact O-CD 3.18Å
338	G	82.6	Confident	91.1	Very high	42 Å²	42	40.4 Å²	40.4	43%	0.433	23%	0.233	S	C	.	.			trans	116.5	-3.9	176.2	0	0	0	0	0	115
339	S	86.5	Confident	91.6	Very high	8 Å²	8	40.2 Å²	40.2	6%	0.056	23%	0.228	C	C	.	.			trans	-86.1	133.5	171.3	179.5	0	0	0	0	111	R318 E341 S359	R318-S339 WeakPolarHBondContact O-CB 3.47Å; S339-E341 VanDerWaalsContact C-N 3.32Å; S339-E341 PolarHBondContact O-N 2.87Å; S339-E341 PolarHBondContact OG-O 3.24Å; S339-S359 WeakPolarHBondContact OG-CB 3.47Å; S339-S359 PolarHBondContact OG-OG 2.81Å
340	T	87.9	Confident	91.3	Very high	94 Å²	94	39 Å²	39	58%	0.577	22%	0.217	S	C	*	.	S	Bend	trans	-75.9	-22.3	-179	-27.7	0	0	0	0	112.9	R318 N361	R318-T340 WeakPolarHBondContact CD-O 2.97Å; R318-T340 PolarHBondContact NE-O 3.17Å; T340-N361 PolarHBondContact N-ND2 3.14Å; T340-N361 PolarHBondContact OG1-ND2 2.84Å
341	E	93.6	Very high	90.8	Very high	87 Å²	87	43.1 Å²	43.1	41%	0.407	24%	0.237	S	C	.	.	S	Bend	trans	-140	177.1	-176.9	-60.7	-178.7	-142.7	0	0	111	R318 S339 S359 H360 N361	R318-E341 WeakPolarHBondContact CB-O 3.44Å; S339-E341 VanDerWaalsContact C-N 3.32Å; S339-E341 PolarHBondContact O-N 2.87Å; S339-E341 PolarHBondContact OG-O 3.24Å; E341-S359 PolarHBondContact O-OG 3.25Å; E341-H360 HydrophobicContact CB-CB 3.79Å; E341-H360 WeakPolarHBondContact OE2-CB 3.35Å; E341-N361 HydrophobicContact CB-CB 4Å; E341-N361 HydrophobicContact CG-CB 3.89Å
342	G	92.8	Very high	90.3	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	23%	0.226	C	C	.	.			trans	-59.6	141.3	-176.6	0	0	0	0	0	113.9	H360	G342-H360 PolarHBondContact O-N 2.91Å
343	I	95.9	Very high	89.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	142.3	176.2	-55.1	-59.9	0	0	0	109.7	N300 G315 I320 V346 A357 A358	N300-I343 VanDerWaalsContact CB-O 3.27Å; N300-I343 WeakPolarHBondContact CB-O 3.47Å; N300-I343 PolarHBondContact ND2-O 2.67Å; G315-I343 PolarHBondContact O-N 3.45Å; I320-I343 HydrophobicContact CD1-CD1 4.49Å; I320-I343 HydrophobicContact CG1-CD1 4.14Å; I320-I343 HydrophobicContact CG1-CG1 3.96Å; I320-I343 HydrophobicContact CG1-CG2 4.41Å; I343-V346 HydrophobicContact CG2-CG2 3.55Å; I343-A357 HydrophobicContact CG2-CB 4.04Å; I343-A358 WeakPolarHBondContact CA-O 3.42Å
344	T	94.7	Very high	89.9	Confident	14 Å²	14	40.9 Å²	40.9	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-28.7	-178.5	51.1	0	0	0	0	114.3	A358 H360 V385	T344-A358 PolarHBondContact N-O 3.35Å; T344-A358 VanDerWaalsContact OG1-C 3.27Å; T344-A358 WeakPolarHBondContact OG1-CB 3.35Å; T344-A358 PolarHBondContact OG1-O 2.74Å; T344-A358 VanDerWaalsContact OG1-O 3.13Å; T344-H360 WeakPolarHBondContact CG2-CD2 3.3Å; T344-H360 WeakPolarHBondContact CG2-NE2 3.42Å; T344-V385 WeakPolarHBondContact CG2-O 3.27Å; T344-V385 PolarHBondContact OG1-O 3.02Å
345	C	94.9	Very high	89.9	Confident	9 Å²	9	39.4 Å²	39.4	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	144.2	-178	179.2	0	0	0	0	108.2	A357 A358 A387	C345-A357 CarbonylContact O-C 3.59Å; C345-A357 WeakPolarHBondContact O-CA 2.93Å; C345-A357 VanDerWaalsContact O-CB 3.26Å; C345-A357 WeakPolarHBondContact O-CB 3.46Å; C345-A358 HydrophobicContact CB-CB 4.03Å; C345-A358 PolarHBondContact O-N 2.97Å; C345-A387 HydrophobicContact CB-CB 4.45Å
346	V	96	Very high	90.1	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.03	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.8	177.3	-178.8	0	0	0	0	107.6	A301 A312 I320 I343 I355 L356 A357	A301-V346 HydrophobicContact CB-CB 4.37Å; A301-V346 HydrophobicContact CB-CG2 4.05Å; A312-V346 HydrophobicContact CB-CG1 3.77Å; I320-V346 HydrophobicContact CD1-CG2 4.28Å; I320-V346 HydrophobicContact CG1-CG2 4.3Å; I320-V346 HydrophobicContact CG2-CG1 4.23Å; I320-V346 HydrophobicContact CG2-CG2 4.38Å; I343-V346 HydrophobicContact CG2-CG2 3.55Å; V346-I355 HydrophobicContact CG1-CG2 3.72Å; V346-L356 WeakPolarHBondContact CA-O 3.44Å; V346-A357 HydrophobicContact CG2-CB 4.1Å
347	E	94.9	Very high	90.3	Very high	28 Å²	28	36.4 Å²	36.4	13%	0.131	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	140.8	-179.5	-168	78.8	141.7	0	0	110.1	R303 L356 R389 F390	R303-E347 IonicContact NE-OE2 2.78Å; E347-L356 PolarHBondContact N-O 3.14Å; E347-L356 PolarHBondContact O-N 3.19Å; E347-R389 WeakPolarHBondContact OE1-CD 3.42Å; E347-R389 IonicContact OE1-CZ 2.67Å; E347-R389 IonicContact OE1-NE 3.67Å; E347-R389 IonicContact OE1-NH1 3.89Å; E347-R389 PolarHBondContact OE1-NH1 3.13Å; E347-R389 IonicContact OE2-NH1 2.94Å; E347-R389 PolarHBondContact OE2-NH1 3.41Å; E347-F390 HydrophobicContact CG-CD2 4.26Å
348	F	93.1	Very high	90.6	Very high	3 Å²	3	31.8 Å²	31.8	1%	0.013	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	147.3	172.3	-78.5	-93.4	0	0	0	111.5	R303 F306 L310 A312 I355 L369 F390	R303-F348 WeakPolarHBondContact O-CE2 3.46Å; F306-F348 HydrophobicContact CD2-CB 4.36Å; L310-F348 HydrophobicContact CB-CE1 4.3Å; L310-F348 HydrophobicContact CB-CZ 4.1Å; A312-F348 HydrophobicContact CB-CE2 3.56Å; A312-F348 HydrophobicContact CB-CZ 3.74Å; F348-I355 HydrophobicContact CD1-CD1 4.18Å; F348-I355 HydrophobicContact CD1-CG1 3.74Å; F348-I355 HydrophobicContact CE1-CD1 3.6Å; F348-I355 HydrophobicContact CE1-CG1 3.7Å; F348-I355 HydrophobicContact CG-CG1 4.32Å; F348-I355 HydrophobicContact CZ-CD1 3.8Å; F348-I355 HydrophobicContact CZ-CG1 4.23Å; F348-L369 HydrophobicContact CE1-CD2 4.43Å; F348-F390 VanDerWaalsContact C-CE2 3.47Å; F348-F390 WeakPolarHBondContact O-CD2 3.3Å
349	D	89.4	Confident	91.2	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.064	15%	0.147	C	C	.	.			trans	-62.9	147.9	163.4	178.4	11.7	0	0	0	109.9	F306 M351 G352 R354 F390	F306-D349 WeakPolarHBondContact CD2-O 3.27Å; D349-M351 PolarHBondContact O-N 2.87Å; D349-M351 VanDerWaalsContact O-N 3.13Å; D349-G352 WeakPolarHBondContact O-CA 3.07Å; D349-G352 PolarHBondContact O-N 2.89Å; D349-R354 HydrophobicContact CB-CB 3.79Å; D349-R354 HydrophobicContact CB-CG 4.32Å; D349-R354 PolarHBondContact N-O 3.16Å; D349-R354 IonicContact OD2-CZ 3.93Å; D349-R354 IonicContact OD2-NE 3.95Å; D349-R354 PolarHBondContact OD2-NE 3.32Å; D349-R354 IonicContact OD2-NH2 3.39Å; D349-R354 PolarHBondContact OD2-NH2 2.84Å; D349-F390 HydrophobicContact CB-CD2 4.39Å; D349-F390 HydrophobicContact CB-CE1 4.21Å; D349-F390 HydrophobicContact CB-CE2 3.97Å; D349-F390 HydrophobicContact CB-CZ 3.86Å; D349-F390 VanDerWaalsContact N-CE2 3.25Å
350	H	82.8	Confident	91.5	Very high	19 Å²	19	32.2 Å²	32.2	9%	0.088	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-28.6	-178.5	-49.4	-79.5	0	0	0	112.5	F274 F306 G352 T391	F274-H350 HydrophobicContact CD1-CB 3.63Å; F274-H350 AromaticContact CD1-CG 3.85Å; F274-H350 HydrophobicContact CE1-CB 4.14Å; F274-H350 AromaticContact CE1-CD2 3.82Å; F274-H350 AromaticContact CE1-CG 3.95Å; F306-H350 AromaticContact CE1-ND1 3.96Å; F306-H350 HydrophobicContact CE2-CB 4.46Å; F306-H350 HydrophobicContact CZ-CB 4.39Å; F306-H350 AromaticContact CZ-ND1 3.42Å; F306-H350 WeakPolarHBondContact CZ-ND1 3.23Å; H350-G352 VanDerWaalsContact C-N 3.28Å; H350-G352 PolarHBondContact O-N 2.96Å; H350-T391 PolarHBondContact NE2-O 3.48Å
351	M	80.7	Confident	91.7	Very high	94 Å²	94	29.1 Å²	29.1	46%	0.463	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-0.3	174.4	-62.9	-58.5	-67.5	0	0	113.9	D349 R353	D349-M351 PolarHBondContact O-N 2.87Å; D349-M351 VanDerWaalsContact O-N 3.13Å; M351-R353 WeakPolarHBondContact O-CG 3.38Å; M351-R353 PolarHBondContact O-N 2.98Å; M351-R353 VanDerWaalsContact O-N 3.16Å
352	G	82.8	Confident	91.7	Very high	18 Å²	18	30 Å²	30	19%	0.186	14%	0.139	C	C	.	.	S	Bend	trans	70.4	0.4	-179.2	0	0	0	0	0	116	D349 H350 L369	D349-G352 WeakPolarHBondContact O-CA 3.07Å; D349-G352 PolarHBondContact O-N 2.89Å; H350-G352 VanDerWaalsContact C-N 3.28Å; H350-G352 PolarHBondContact O-N 2.96Å; G352-L369 WeakPolarHBondContact O-CD1 3.29Å
353	R	85.2	Confident	91.7	Very high	164 Å²	164	29.9 Å²	29.9	62%	0.619	14%	0.138	S	C	*	.	S	Bend	trans	-94.9	-11.6	-170.1	-62.9	-176.3	-169.3	-174.2	2.6	115.8	M351 L369	M351-R353 WeakPolarHBondContact O-CG 3.38Å; M351-R353 PolarHBondContact O-N 2.98Å; M351-R353 VanDerWaalsContact O-N 3.16Å; R353-L369 PolarHBondContact O-N 2.87Å
354	R	90.6	Very high	91.6	Very high	64 Å²	64	29.9 Å²	29.9	24%	0.242	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.1	-179.3	-47.3	177.1	-117.8	-156	-4	109.6	D349 L366 W367 F390	D349-R354 HydrophobicContact CB-CB 3.79Å; D349-R354 HydrophobicContact CB-CG 4.32Å; D349-R354 PolarHBondContact N-O 3.16Å; D349-R354 IonicContact OD2-CZ 3.93Å; D349-R354 IonicContact OD2-NE 3.95Å; D349-R354 PolarHBondContact OD2-NE 3.32Å; D349-R354 IonicContact OD2-NH2 3.39Å; D349-R354 PolarHBondContact OD2-NH2 2.84Å; R354-L366 HydrophobicContact CB-CD1 4.2Å; R354-W367 CarbonylContact C-O 3.57Å; R354-W367 VanDerWaalsContact CA-O 3.25Å; R354-W367 WeakPolarHBondContact CA-O 3.44Å; R354-W367 WeakPolarHBondContact CB-O 3.38Å; R354-F390 HydrophobicContact CB-CZ 4.32Å
355	I	93.5	Very high	91.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.3	171.7	-69.7	177.8	0	0	0	108.2	A312 I320 L322 L336 V346 F348 L366 W367 L369	A312-I355 HydrophobicContact CB-CD1 4.13Å; I320-I355 HydrophobicContact CD1-CG2 4.25Å; L322-I355 HydrophobicContact CD1-CD1 4.03Å; L322-I355 HydrophobicContact CD2-CD1 3.31Å; L322-I355 HydrophobicContact CG-CD1 4.33Å; L336-I355 HydrophobicContact CD1-CD1 4.13Å; V346-I355 HydrophobicContact CG1-CG2 3.72Å; F348-I355 HydrophobicContact CD1-CD1 4.18Å; F348-I355 HydrophobicContact CD1-CG1 3.74Å; F348-I355 HydrophobicContact CE1-CD1 3.6Å; F348-I355 HydrophobicContact CE1-CG1 3.7Å; F348-I355 HydrophobicContact CG-CG1 4.32Å; F348-I355 HydrophobicContact CZ-CD1 3.8Å; F348-I355 HydrophobicContact CZ-CG1 4.23Å; I355-L366 WeakPolarHBondContact O-CA 3.43Å; I355-W367 PolarHBondContact N-O 2.93Å; I355-W367 PolarHBondContact O-N 3.21Å; I355-L369 HydrophobicContact CD1-CD2 3.6Å; I355-L369 HydrophobicContact CG1-CD2 3.95Å
356	L	94.9	Very high	91.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138	171.5	172.9	68.5	0	0	0	108.2	V346 E347 A364 L365 L366 A388 F390 V397	V346-L356 WeakPolarHBondContact CA-O 3.44Å; E347-L356 PolarHBondContact N-O 3.14Å; E347-L356 PolarHBondContact O-N 3.19Å; L356-A364 HydrophobicContact CD1-CB 4.26Å; L356-L365 WeakPolarHBondContact CA-O 3.27Å; L356-L366 HydrophobicContact CB-CD1 4.3Å; L356-A388 HydrophobicContact CD1-CB 4.18Å; L356-A388 HydrophobicContact CD2-CB 3.78Å; L356-A388 HydrophobicContact CG-CB 3.79Å; L356-F390 HydrophobicContact CB-CD2 4.28Å; L356-F390 HydrophobicContact CB-CE1 4.49Å; L356-F390 HydrophobicContact CB-CE2 3.45Å; L356-F390 VanDerWaalsContact CB-CE2 3.45Å; L356-F390 HydrophobicContact CB-CZ 3.59Å; L356-F390 HydrophobicContact CD2-CD2 4.29Å; L356-F390 HydrophobicContact CD2-CE2 4.22Å; L356-F390 HydrophobicContact CD2-CZ 4.48Å; L356-V397 HydrophobicContact CD1-CG1 3.91Å; L356-V397 HydrophobicContact CD2-CB 4.38Å; L356-V397 HydrophobicContact CD2-CG1 3.56Å; L356-V397 HydrophobicContact CD2-CG2 3.88Å; L356-V397 HydrophobicContact CG-CG1 4.4Å
357	A	95.1	Very high	91.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.7	169.9	0	0	0	0	0	113	I320 I343 C345 V346 A364 L365 W367	I320-A357 HydrophobicContact CD1-CB 3.45Å; I320-A357 VanDerWaalsContact CD1-CB 3.45Å; I320-A357 HydrophobicContact CG1-CB 4.47Å; I343-A357 HydrophobicContact CG2-CB 4.04Å; C345-A357 CarbonylContact O-C 3.59Å; C345-A357 WeakPolarHBondContact O-CA 2.93Å; C345-A357 VanDerWaalsContact O-CB 3.26Å; C345-A357 WeakPolarHBondContact O-CB 3.46Å; V346-A357 HydrophobicContact CG2-CB 4.1Å; A357-A364 CarbonylContact O-C 3.58Å; A357-A364 WeakPolarHBondContact O-CA 3.06Å; A357-A364 WeakPolarHBondContact O-CB 3.33Å; A357-L365 PolarHBondContact N-O 3.29Å; A357-L365 PolarHBondContact O-N 3.28Å; A357-W367 HydrophobicContact CB-CH2 4.26Å; A357-W367 HydrophobicContact CB-CZ3 3.74Å
358	A	95.3	Very high	90.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	146.7	169.3	0	0	0	0	0	110.3	I343 T344 C345 V385 A388	I343-A358 WeakPolarHBondContact CA-O 3.42Å; T344-A358 PolarHBondContact N-O 3.35Å; T344-A358 VanDerWaalsContact OG1-C 3.27Å; T344-A358 WeakPolarHBondContact OG1-CB 3.35Å; T344-A358 PolarHBondContact OG1-O 2.74Å; T344-A358 VanDerWaalsContact OG1-O 3.13Å; C345-A358 HydrophobicContact CB-CB 4.03Å; C345-A358 PolarHBondContact O-N 2.97Å; A358-V385 HydrophobicContact CB-CB 3.87Å; A358-V385 HydrophobicContact CB-CG1 3.57Å; A358-A388 HydrophobicContact CB-CB 4Å
359	S	94.7	Very high	90.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.2	-179.4	177.7	0	0	0	0	112.2	S339 E341 N361 S363 V385	S339-S359 WeakPolarHBondContact OG-CB 3.47Å; S339-S359 PolarHBondContact OG-OG 2.81Å; E341-S359 PolarHBondContact O-OG 3.25Å; S359-N361 VanDerWaalsContact CB-OD1 3.27Å; S359-N361 WeakPolarHBondContact CB-OD1 3.35Å; S359-N361 PolarHBondContact O-N 2.61Å; S359-N361 PolarHBondContact OG-N 3.48Å; S359-N361 PolarHBondContact OG-OD1 2.84Å; S359-S363 PolarHBondContact N-O 3.31Å; S359-S363 VanDerWaalsContact N-O 3.14Å; S359-V385 PolarHBondContact O-N 2.81Å; S359-V385 VanDerWaalsContact O-N 3.12Å
360	H	93.6	Very high	89.7	Confident	59 Å²	59	39.3 Å²	39.3	27%	0.273	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.3	168.2	-77.5	174.6	0	0	0	113	E341 G342 T344 K362 K384	E341-H360 HydrophobicContact CB-CB 3.79Å; E341-H360 WeakPolarHBondContact OE2-CB 3.35Å; G342-H360 PolarHBondContact O-N 2.91Å; T344-H360 WeakPolarHBondContact CG2-CD2 3.3Å; T344-H360 WeakPolarHBondContact CG2-NE2 3.42Å; H360-K362 PolarHBondContact O-N 3.4Å; H360-K384 HydrophobicContact CB-CB 4.35Å; H360-K384 WeakPolarHBondContact CD2-CD 3.44Å; H360-K384 WeakPolarHBondContact NE2-CD 3.16Å; H360-K384 PolarHBondContact NE2-NZ 2.95Å
361	N	91.1	Very high	89.3	Confident	29 Å²	29	41.2 Å²	41.2	16%	0.155	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	16.5	-178.7	83.2	-11.8	0	0	0	115.6	T340 E341 S359 S363	T340-N361 PolarHBondContact N-ND2 3.14Å; T340-N361 PolarHBondContact OG1-ND2 2.84Å; E341-N361 HydrophobicContact CB-CB 4Å; E341-N361 HydrophobicContact CG-CB 3.89Å; S359-N361 VanDerWaalsContact CB-OD1 3.27Å; S359-N361 WeakPolarHBondContact CB-OD1 3.35Å; S359-N361 PolarHBondContact O-N 2.61Å; S359-N361 PolarHBondContact OG-N 3.48Å; S359-N361 PolarHBondContact OG-OD1 2.84Å; N361-S363 PolarHBondContact ND2-OG 2.81Å; N361-S363 PolarHBondContact O-N 3.29Å; N361-S363 PolarHBondContact OD1-N 3.39Å; N361-S363 VanDerWaalsContact OD1-N 3.16Å; N361-S363 PolarHBondContact OD1-OG 2.68Å
362	K	93.8	Very high	88.5	Confident	105 Å²	105	40.8 Å²	40.8	46%	0.457	20%	0.198	S	C	.	.	S	Bend	trans	67.3	18	178.1	-39.1	168.7	179	-169.9	0	114.8	H360 H381 S382	H360-K362 PolarHBondContact O-N 3.4Å; K362-H381 WeakPolarHBondContact CB-O 3.26Å; K362-S382 VanDerWaalsContact CD-O 3.3Å; K362-S382 WeakPolarHBondContact CD-O 3.44Å; K362-S382 VanDerWaalsContact CE-O 3.26Å; K362-S382 WeakPolarHBondContact CE-O 3.26Å; K362-S382 PolarHBondContact NZ-O 2.79Å
363	S	93.3	Very high	87.9	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.028	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	162.8	173.6	72.7	0	0	0	0	112.1	S359 N361 L365 L378	S359-S363 PolarHBondContact N-O 3.31Å; S359-S363 VanDerWaalsContact N-O 3.14Å; N361-S363 PolarHBondContact ND2-OG 2.81Å; N361-S363 PolarHBondContact O-N 3.29Å; N361-S363 PolarHBondContact OD1-N 3.39Å; N361-S363 VanDerWaalsContact OD1-N 3.16Å; N361-S363 PolarHBondContact OD1-OG 2.68Å; S363-L365 WeakPolarHBondContact OG-CD1 3.06Å; S363-L378 WeakPolarHBondContact CA-O 3.49Å; S363-L378 WeakPolarHBondContact CB-O 3.17Å
364	A	94.1	Very high	87.2	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.5	160.3	0	0	0	0	0	109	L356 A357 L378 A388 T399	L356-A364 HydrophobicContact CD1-CB 4.26Å; A357-A364 CarbonylContact O-C 3.58Å; A357-A364 WeakPolarHBondContact O-CA 3.06Å; A357-A364 WeakPolarHBondContact O-CB 3.33Å; A364-L378 HydrophobicContact CB-CB 4.36Å; A364-L378 HydrophobicContact CB-CD1 4.36Å; A364-L378 PolarHBondContact N-O 3.33Å; A364-L378 WeakPolarHBondContact O-CB 3.39Å; A364-L378 PolarHBondContact O-N 3.41Å; A364-A388 HydrophobicContact CB-CB 4.22Å; A364-T399 HydrophobicContact CB-CG2 3.68Å
365	L	93.4	Very high	86.6	Confident	3 Å²	3	41.6 Å²	41.6	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.1	-175.8	-69.5	89.2	0	0	0	109.9	L356 A357 S363 W367 P374 T377	L356-L365 WeakPolarHBondContact CA-O 3.27Å; A357-L365 PolarHBondContact N-O 3.29Å; A357-L365 PolarHBondContact O-N 3.28Å; S363-L365 WeakPolarHBondContact OG-CD1 3.06Å; L365-W367 HydrophobicContact CB-CE3 4.12Å; L365-W367 HydrophobicContact CB-CH2 3.32Å; L365-W367 HydrophobicContact CB-CZ2 3.92Å; L365-W367 HydrophobicContact CB-CZ3 3.42Å; L365-W367 VanDerWaalsContact CB-CZ3 3.42Å; L365-W367 HydrophobicContact CD2-CH2 4.03Å; L365-W367 HydrophobicContact CD2-CZ2 3.93Å; L365-W367 HydrophobicContact CG-CH2 4.16Å; L365-W367 WeakPolarHBondContact O-CZ3 3.45Å; L365-P374 HydrophobicContact CB-CB 4.44Å; L365-P374 HydrophobicContact CD2-CB 3.92Å; L365-P374 HydrophobicContact CD2-CG 4.06Å; L365-T377 HydrophobicContact CG-CG2 4.25Å
366	L	93.3	Very high	86.1	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.7	177.8	-175.4	82	0	0	0	110.4	R354 I355 L356 K375 V376 F390 L411	R354-L366 HydrophobicContact CB-CD1 4.2Å; I355-L366 WeakPolarHBondContact O-CA 3.43Å; L356-L366 HydrophobicContact CB-CD1 4.3Å; L366-K375 PolarHBondContact O-N 2.96Å; L366-V376 HydrophobicContact CB-CB 4.19Å; L366-V376 HydrophobicContact CD2-CB 4.42Å; L366-V376 HydrophobicContact CD2-CG2 4.26Å; L366-V376 PolarHBondContact N-O 3.24Å; L366-V376 PolarHBondContact O-N 3.09Å; L366-F390 HydrophobicContact CD1-CE1 3.9Å; L366-F390 HydrophobicContact CD1-CZ 3.63Å; L366-L411 HydrophobicContact CD1-CD1 4.3Å; L366-L411 HydrophobicContact CD2-CD1 3.88Å; L366-L411 HydrophobicContact CD2-CD2 4.18Å
367	W	91.5	Very high	85.9	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.011	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	156	171.2	-60.3	-104.2	0	0	0	110.5	I320 L336 D337 R354 I355 A357 L365 P374	I320-W367 HydrophobicContact CD1-CE3 3.98Å; I320-W367 HydrophobicContact CD1-CH2 3.47Å; I320-W367 VanDerWaalsContact CD1-CH2 3.47Å; I320-W367 HydrophobicContact CD1-CZ2 4.2Å; I320-W367 HydrophobicContact CD1-CZ3 3.36Å; I320-W367 HydrophobicContact CG1-CH2 4.41Å; L336-W367 HydrophobicContact CB-CD2 4.32Å; L336-W367 HydrophobicContact CB-CG 4.23Å; L336-W367 HydrophobicContact CD1-CB 3.88Å; L336-W367 HydrophobicContact CD1-CD2 4.16Å; L336-W367 HydrophobicContact CD1-CG 3.84Å; L336-W367 HydrophobicContact CD2-CB 4.42Å; L336-W367 HydrophobicContact CD2-CG 4.31Å; L336-W367 HydrophobicContact CG-CG 4.36Å; D337-W367 PolarHBondContact O-NE1 3.44Å; R354-W367 CarbonylContact C-O 3.57Å; R354-W367 VanDerWaalsContact CA-O 3.25Å; R354-W367 WeakPolarHBondContact CA-O 3.44Å; R354-W367 WeakPolarHBondContact CB-O 3.38Å; I355-W367 PolarHBondContact N-O 2.93Å; I355-W367 PolarHBondContact O-N 3.21Å; A357-W367 HydrophobicContact CB-CH2 4.26Å; A357-W367 HydrophobicContact CB-CZ3 3.74Å; L365-W367 HydrophobicContact CB-CE3 4.12Å; L365-W367 HydrophobicContact CB-CH2 3.32Å; L365-W367 HydrophobicContact CB-CZ2 3.92Å; L365-W367 HydrophobicContact CB-CZ3 3.42Å; L365-W367 VanDerWaalsContact CB-CZ3 3.42Å; L365-W367 HydrophobicContact CD2-CH2 4.03Å; L365-W367 HydrophobicContact CD2-CZ2 3.93Å; L365-W367 HydrophobicContact CG-CH2 4.16Å; L365-W367 WeakPolarHBondContact O-CZ3 3.45Å; W367-P374 HydrophobicContact CD2-CB 4.32Å; W367-P374 HydrophobicContact CG-CB 4.45Å; W367-P374 HydrophobicContact CZ2-CB 4.38Å
368	R	87.8	Confident	85.8	Confident	93 Å²	93	45.6 Å²	45.6	35%	0.351	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.7	161.9	-176.4	-167.5	-74.5	148.3	-28.3	106.9	D370 D371	R368-D370 WeakPolarHBondContact CD-OD2 3.38Å; R368-D370 HydrophobicContact CG-CB 4.28Å; R368-D370 WeakPolarHBondContact CG-OD2 3.15Å; R368-D370 PolarHBondContact O-N 3.43Å; R368-D370 VanDerWaalsContact O-N 3.1Å; R368-D371 HydrophobicContact CB-CB 4.37Å; R368-D371 WeakPolarHBondContact CB-OD2 3.47Å; R368-D371 VanDerWaalsContact CD-OD2 3.31Å; R368-D371 WeakPolarHBondContact CD-OD2 3.33Å; R368-D371 IonicContact CZ-OD2 2.77Å; R368-D371 IonicContact NE-OD2 3.48Å; R368-D371 IonicContact NH1-OD1 3.79Å; R368-D371 IonicContact NH1-OD2 3.43Å; R368-D371 PolarHBondContact NH1-OD2 2.97Å; R368-D371 PolarHBondContact O-N 2.87Å
369	L	80.8	Confident	85.6	Confident	35 Å²	35	50.3 Å²	50.3	18%	0.183	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.9	-179.7	-71.5	-169	0	0	0	114.6	L310 L322 F348 G352 R353 I355	L310-L369 HydrophobicContact CD1-CD1 3.47Å; L310-L369 VanDerWaalsContact CD1-CD1 3.47Å; L322-L369 HydrophobicContact CD1-CD2 3.58Å; F348-L369 HydrophobicContact CE1-CD2 4.43Å; G352-L369 WeakPolarHBondContact O-CD1 3.29Å; R353-L369 PolarHBondContact O-N 2.87Å; I355-L369 HydrophobicContact CD1-CD2 3.6Å; I355-L369 HydrophobicContact CG1-CD2 3.95Å
370	D	76.1	Confident	85.3	Confident	128 Å²	128	52.3 Å²	52.3	68%	0.684	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-14.2	178.2	-42.9	-61.9	0	0	0	112.7	R368	R368-D370 WeakPolarHBondContact CD-OD2 3.38Å; R368-D370 HydrophobicContact CG-CB 4.28Å; R368-D370 WeakPolarHBondContact CG-OD2 3.15Å; R368-D370 PolarHBondContact O-N 3.43Å; R368-D370 VanDerWaalsContact O-N 3.1Å
371	D	73.3	Confident	85.3	Confident	59 Å²	59	50 Å²	50	32%	0.316	28%	0.277	S	S	.	.			trans	-120.9	123.4	-174.3	-57.7	-58.4	0	0	0	110.9	R368 V373	R368-D371 HydrophobicContact CB-CB 4.37Å; R368-D371 WeakPolarHBondContact CB-OD2 3.47Å; R368-D371 VanDerWaalsContact CD-OD2 3.31Å; R368-D371 WeakPolarHBondContact CD-OD2 3.33Å; R368-D371 IonicContact CZ-OD2 2.77Å; R368-D371 IonicContact NE-OD2 3.48Å; R368-D371 IonicContact NH1-OD1 3.79Å; R368-D371 IonicContact NH1-OD2 3.43Å; R368-D371 PolarHBondContact NH1-OD2 2.97Å; R368-D371 PolarHBondContact O-N 2.87Å; D371-V373 VanDerWaalsContact C-N 3.25Å; D371-V373 PolarHBondContact O-N 3.37Å
372	S	65	Low	85.5	Confident	85 Å²	85	52.2 Å²	52.2	59%	0.594	29%	0.294	S	S	*	.	S	Bend	trans	-74.2	-12.1	178.7	55.9	0	0	0	0	114.8
373	V	69	Low	85.5	Confident	99 Å²	99	53.7 Å²	53.7	60%	0.6	30%	0.297	S	S	*	.	S	Bend	trans	-103.5	139.1	-175.5	178	0	0	0	0	109.6	D371 K375	D371-V373 VanDerWaalsContact C-N 3.25Å; D371-V373 PolarHBondContact O-N 3.37Å; V373-K375 PolarHBondContact O-N 3.27Å
374	P	71.3	Confident	85.6	Confident	30 Å²	30	57.6 Å²	57.6	20%	0.195	31%	0.314	C	S	.	.			trans	-63.3	126.5	177.5	25.6	-33.8	0	0	0	110.2	D337 L365 W367	D337-P374 WeakPolarHBondContact O-CD 3.18Å; L365-P374 HydrophobicContact CB-CB 4.44Å; L365-P374 HydrophobicContact CD2-CB 3.92Å; L365-P374 HydrophobicContact CD2-CG 4.06Å; W367-P374 HydrophobicContact CD2-CB 4.32Å; W367-P374 HydrophobicContact CG-CB 4.45Å; W367-P374 HydrophobicContact CZ2-CB 4.38Å
375	K	77.7	Confident	85.7	Confident	134 Å²	134	57.6 Å²	57.6	58%	0.583	31%	0.314	S	S	*	.	S	Bend	trans	-81.2	-32.1	-177.1	-170.9	-178.2	177.4	-170.5	0	112.3	L366 V373	L366-K375 PolarHBondContact O-N 2.96Å; V373-K375 PolarHBondContact O-N 3.27Å
376	V	83.8	Confident	85.8	Confident	21 Å²	21	58.3 Å²	58.3	13%	0.127	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.2	178.9	-173.8	0	0	0	0	109.4	L366 L378 A414	L366-V376 HydrophobicContact CB-CB 4.19Å; L366-V376 HydrophobicContact CD2-CB 4.42Å; L366-V376 HydrophobicContact CD2-CG2 4.26Å; L366-V376 PolarHBondContact N-O 3.24Å; L366-V376 PolarHBondContact O-N 3.09Å; V376-L378 HydrophobicContact CG1-CD2 3.82Å; V376-L378 HydrophobicContact CG1-CG 4.45Å; V376-A414 HydrophobicContact CG1-CB 3.75Å
377	T	90.8	Very high	85.8	Confident	63 Å²	63	57.9 Å²	57.9	39%	0.387	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.1	172	-53.1	0	0	0	0	108.6	L365 T379	L365-T377 HydrophobicContact CG-CG2 4.25Å; T377-T379 HydrophobicContact CG2-CG2 3.68Å; T377-T379 PolarHBondContact O-N 2.92Å; T377-T379 VanDerWaalsContact O-N 3.14Å
378	L	91.9	Very high	86	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	88.7	179.1	-56.9	176.5	0	0	0	108.9	S363 A364 V376 V397 W409 L411	S363-L378 WeakPolarHBondContact CA-O 3.49Å; S363-L378 WeakPolarHBondContact CB-O 3.17Å; A364-L378 HydrophobicContact CB-CB 4.36Å; A364-L378 HydrophobicContact CB-CD1 4.36Å; A364-L378 PolarHBondContact N-O 3.33Å; A364-L378 WeakPolarHBondContact O-CB 3.39Å; A364-L378 PolarHBondContact O-N 3.41Å; V376-L378 HydrophobicContact CG1-CD2 3.82Å; V376-L378 HydrophobicContact CG1-CG 4.45Å; L378-V397 HydrophobicContact CD1-CG1 3.97Å; L378-W409 HydrophobicContact CB-CD2 4.02Å; L378-W409 HydrophobicContact CB-CE3 3.96Å; L378-W409 HydrophobicContact CB-CH2 4.43Å; L378-W409 HydrophobicContact CB-CZ2 4.46Å; L378-W409 HydrophobicContact CB-CZ3 4.18Å; L378-W409 HydrophobicContact CD1-CB 4.03Å; L378-W409 HydrophobicContact CD1-CD2 4.21Å; L378-W409 HydrophobicContact CD1-CG 3.89Å; L378-W409 HydrophobicContact CD2-CB 4.14Å; L378-W409 HydrophobicContact CD2-CD2 4.14Å; L378-W409 HydrophobicContact CD2-CE3 3.85Å; L378-W409 HydrophobicContact CD2-CG 4.27Å; L378-W409 HydrophobicContact CG-CD2 4.34Å; L378-W409 HydrophobicContact CG-CE3 4.37Å; L378-W409 HydrophobicContact CG-CG 4.47Å; L378-L411 HydrophobicContact CD1-CD2 4.13Å; L378-L411 HydrophobicContact CD2-CD2 4.24Å
379	T	91.6	Very high	86.4	Confident	98 Å²	98	54.1 Å²	54.1	60%	0.601	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	143.3	-179.9	57.8	0	0	0	0	111.7	T377 W409	T377-T379 HydrophobicContact CG2-CG2 3.68Å; T377-T379 PolarHBondContact O-N 2.92Å; T377-T379 VanDerWaalsContact O-N 3.14Å; T379-W409 VanDerWaalsContact O-CH2 3.24Å; T379-W409 WeakPolarHBondContact O-CH2 3.46Å; T379-W409 WeakPolarHBondContact O-CZ3 2.97Å
380	G	88.3	Confident	87	Confident	42 Å²	42	53.2 Å²	53.2	43%	0.433	30%	0.296	S	S	.	.			trans	142.4	-7.2	169.8	0	0	0	0	0	116.1	R407	G380-R407 VanDerWaalsContact O-CZ 3.29Å; G380-R407 PolarHBondContact O-NH1 3.04Å; G380-R407 PolarHBondContact O-NH2 2.89Å; G380-R407 VanDerWaalsContact O-NH2 3.13Å
381	H	94.4	Very high	87.6	Confident	11 Å²	11	47.5 Å²	47.5	5%	0.051	27%	0.266	C	S	.	.			trans	-67.1	149.2	163.4	-81.8	-68.6	0	0	0	109.8	K362 V385 T399 S401 D403 T405	K362-H381 WeakPolarHBondContact CB-O 3.26Å; H381-V385 HydrophobicContact CB-CG2 4.26Å; H381-T399 PolarHBondContact NE2-OG1 3.01Å; H381-S401 VanDerWaalsContact CE1-CB 3.49Å; H381-S401 WeakPolarHBondContact CE1-CB 3.43Å; H381-S401 VanDerWaalsContact ND1-CB 3.26Å; H381-S401 WeakPolarHBondContact ND1-CB 3.15Å; H381-D403 WeakPolarHBondContact CA-OD2 3.31Å; H381-D403 VanDerWaalsContact CB-OD2 3.26Å; H381-D403 WeakPolarHBondContact CB-OD2 3.39Å; H381-D403 IonicContact CE1-OD1 3.68Å; H381-D403 IonicContact CG-OD2 3.38Å; H381-D403 IonicContact ND1-OD1 2.95Å; H381-D403 PolarHBondContact ND1-OD1 2.89Å; H381-D403 IonicContact ND1-OD2 3.65Å; H381-D403 PolarHBondContact ND1-OD2 2.75Å; H381-T405 PolarHBondContact CE1-OG1 3.04Å; H381-T405 PolarHBondContact ND1-OG1 2.95Å; H381-T405 VanDerWaalsContact ND1-OG1 3.16Å
382	S	93.9	Very high	88.1	Confident	75 Å²	75	45.6 Å²	45.6	52%	0.524	26%	0.257	S	S	.	.	S	Bend	trans	-91.6	-16.3	-179.5	70.3	0	0	0	0	113.6	K362 D403	K362-S382 VanDerWaalsContact CD-O 3.3Å; K362-S382 WeakPolarHBondContact CD-O 3.44Å; K362-S382 VanDerWaalsContact CE-O 3.26Å; K362-S382 WeakPolarHBondContact CE-O 3.26Å; K362-S382 PolarHBondContact NZ-O 2.79Å; S382-D403 PolarHBondContact N-OD2 2.89Å; S382-D403 WeakPolarHBondContact OG-CB 3.27Å
383	R	94.9	Very high	89	Confident	137 Å²	137	44.7 Å²	44.7	52%	0.517	25%	0.248	S	C	.	.	S	Bend	trans	-138.3	174	179.8	-55.3	-176.8	-178.7	-150.6	-2.5	110.8	V385 S401 T402 D403	R383-V385 PolarHBondContact O-N 2.89Å; R383-S401 PolarHBondContact O-OG 3Å; R383-T402 WeakPolarHBondContact CB-OG1 3.41Å; R383-T402 WeakPolarHBondContact CD-O 3.37Å; R383-D403 HydrophobicContact CB-CB 4.01Å; R383-D403 HydrophobicContact CG-CB 4.02Å
384	K	94.4	Very high	89.3	Confident	86 Å²	86	43 Å²	43	37%	0.374	24%	0.239	S	C	.	.			trans	-51.8	134.3	-174.8	57.9	163.5	-176.5	175.1	0	113.3	H360 S401 T402	H360-K384 HydrophobicContact CB-CB 4.35Å; H360-K384 WeakPolarHBondContact CD2-CD 3.44Å; H360-K384 WeakPolarHBondContact NE2-CD 3.16Å; H360-K384 PolarHBondContact NE2-NZ 2.95Å; K384-S401 WeakPolarHBondContact O-CA 3.38Å; K384-S401 PolarHBondContact O-OG 3.49Å; K384-T402 HydrophobicContact CD-CG2 4.38Å; K384-T402 HydrophobicContact CG-CG2 3.91Å; K384-T402 VanDerWaalsContact CG-OG1 3.32Å; K384-T402 WeakPolarHBondContact CG-OG1 3.43Å; K384-T402 PolarHBondContact O-N 3.45Å; K384-T402 VanDerWaalsContact O-N 3.13Å
385	V	96.4	Very high	89.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.9	171.9	-167.9	0	0	0	0	107.6	T344 A358 S359 H381 R383 A387 T399 G400	T344-V385 WeakPolarHBondContact CG2-O 3.27Å; T344-V385 PolarHBondContact OG1-O 3.02Å; A358-V385 HydrophobicContact CB-CB 3.87Å; A358-V385 HydrophobicContact CB-CG1 3.57Å; S359-V385 PolarHBondContact O-N 2.81Å; S359-V385 VanDerWaalsContact O-N 3.12Å; H381-V385 HydrophobicContact CB-CG2 4.26Å; R383-V385 PolarHBondContact O-N 2.89Å; V385-A387 WeakPolarHBondContact CG1-O 3.26Å; V385-T399 HydrophobicContact CG1-CG2 4.41Å; V385-G400 VanDerWaalsContact CG1-O 3.28Å; V385-G400 WeakPolarHBondContact CG1-O 3.36Å
386	T	94.9	Very high	90.5	Very high	17 Å²	17	40.3 Å²	40.3	10%	0.104	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	-29.8	-173.5	42.6	0	0	0	0	112.8	G400 T402 C426	T386-G400 PolarHBondContact N-O 2.98Å; T386-G400 PolarHBondContact OG1-O 3.12Å; T386-G400 VanDerWaalsContact OG1-O 3.12Å; T386-T402 HydrophobicContact CG2-CG2 3.71Å; T386-C426 WeakPolarHBondContact CB-O 3.49Å; T386-C426 PolarHBondContact OG1-O 3.05Å
387	A	94.8	Very high	91	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.9	171.4	0	0	0	0	0	111.5	C345 V385 T399 G400 D428 L429	C345-A387 HydrophobicContact CB-CB 4.45Å; V385-A387 WeakPolarHBondContact CG1-O 3.26Å; A387-T399 WeakPolarHBondContact O-CA 3.5Å; A387-G400 PolarHBondContact N-O 2.82Å; A387-G400 PolarHBondContact O-N 2.92Å; A387-D428 VanDerWaalsContact CB-OD1 3.27Å; A387-D428 WeakPolarHBondContact CB-OD1 3.27Å; A387-L429 HydrophobicContact CB-CD2 3.88Å; A387-L429 HydrophobicContact CB-CG 3.92Å; A387-L429 WeakPolarHBondContact O-CD2 3.36Å
388	A	95.9	Very high	91.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	131.9	174	0	0	0	0	0	108.6	L356 A358 A364 V398 T399	L356-A388 HydrophobicContact CD1-CB 4.18Å; L356-A388 HydrophobicContact CD2-CB 3.78Å; L356-A388 HydrophobicContact CG-CB 3.79Å; A358-A388 HydrophobicContact CB-CB 4Å; A364-A388 HydrophobicContact CB-CB 4.22Å; A388-V398 CarbonylContact C-O 3.57Å; A388-V398 VanDerWaalsContact CA-O 3.29Å; A388-V398 WeakPolarHBondContact CA-O 3.3Å; A388-T399 HydrophobicContact CB-CG2 3.95Å
389	R	94.9	Very high	91.4	Very high	17 Å²	17	36.4 Å²	36.4	6%	0.064	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.4	-178.2	-57.6	-75.7	-168.1	148.1	6.2	110.8	E347 V397 V398 D428 L429 L468 D469	E347-R389 WeakPolarHBondContact OE1-CD 3.42Å; E347-R389 IonicContact OE1-CZ 2.67Å; E347-R389 IonicContact OE1-NE 3.67Å; E347-R389 IonicContact OE1-NH1 3.89Å; E347-R389 PolarHBondContact OE1-NH1 3.13Å; E347-R389 IonicContact OE2-NH1 2.94Å; E347-R389 PolarHBondContact OE2-NH1 3.41Å; R389-V397 WeakPolarHBondContact O-CA 3.44Å; R389-V398 PolarHBondContact N-O 3.35Å; R389-V398 PolarHBondContact O-N 3.49Å; R389-D428 IonicContact NH2-OD1 2.78Å; R389-L429 HydrophobicContact CB-CD1 3.68Å; R389-L429 HydrophobicContact CG-CD1 3.44Å; R389-L429 VanDerWaalsContact CG-CD1 3.44Å; R389-L429 HydrophobicContact CG-CG 4.02Å; R389-L429 VanDerWaalsContact CG-O 3.23Å; R389-L429 WeakPolarHBondContact CG-O 3.49Å; R389-L429 PolarHBondContact NE-O 2.89Å; R389-L468 PolarHBondContact NH2-O 3.46Å; R389-D469 IonicContact NH1-OD1 2.83Å; R389-D469 IonicContact NH2-OD1 3.65Å
390	F	92.8	Very high	91.6	Very high	15 Å²	15	31.7 Å²	31.7	7%	0.066	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	143.4	163.5	-65.3	-83.9	0	0	0	110	E347 F348 D349 R354 L356 L366 V397 L411	E347-F390 HydrophobicContact CG-CD2 4.26Å; F348-F390 VanDerWaalsContact C-CE2 3.47Å; F348-F390 WeakPolarHBondContact O-CD2 3.3Å; D349-F390 HydrophobicContact CB-CD2 4.39Å; D349-F390 HydrophobicContact CB-CE1 4.21Å; D349-F390 HydrophobicContact CB-CE2 3.97Å; D349-F390 HydrophobicContact CB-CZ 3.86Å; D349-F390 VanDerWaalsContact N-CE2 3.25Å; R354-F390 HydrophobicContact CB-CZ 4.32Å; L356-F390 HydrophobicContact CB-CD2 4.28Å; L356-F390 HydrophobicContact CB-CE1 4.49Å; L356-F390 HydrophobicContact CB-CE2 3.45Å; L356-F390 VanDerWaalsContact CB-CE2 3.45Å; L356-F390 HydrophobicContact CB-CZ 3.59Å; L356-F390 HydrophobicContact CD2-CD2 4.29Å; L356-F390 HydrophobicContact CD2-CE2 4.22Å; L356-F390 HydrophobicContact CD2-CZ 4.48Å; L366-F390 HydrophobicContact CD1-CE1 3.9Å; L366-F390 HydrophobicContact CD1-CZ 3.63Å; F390-V397 HydrophobicContact CD1-CG2 3.57Å; F390-V397 HydrophobicContact CE1-CG2 3.81Å; F390-V397 HydrophobicContact CG-CG2 4.29Å; F390-L411 HydrophobicContact CE1-CD1 4.1Å
391	T	89.9	Confident	91.9	Very high	8 Å²	8	29.7 Å²	29.7	5%	0.049	15%	0.153	C	C	.	.			trans	-83.1	176.1	166.5	74.3	0	0	0	0	110.4	H350 V393 Q396 V398 L408	H350-T391 PolarHBondContact NE2-O 3.48Å; T391-V393 PolarHBondContact OG1-N 2.72Å; T391-V393 PolarHBondContact OG1-O 2.96Å; T391-Q396 HydrophobicContact CG2-CB 4.21Å; T391-Q396 PolarHBondContact N-O 2.79Å; T391-Q396 WeakPolarHBondContact OG1-CB 3.47Å; T391-Q396 PolarHBondContact OG1-O 2.84Å; T391-V398 HydrophobicContact CG2-CG2 3.66Å; T391-L408 HydrophobicContact CG2-CD1 3.94Å
392	C	83.4	Confident	92	Very high	20 Å²	20	30.4 Å²	30.4	14%	0.135	16%	0.157	C	C	.	.	S	Bend	trans	-75.3	-10.8	168	-55.7	0	0	0	0	112.8	F274 D433	F274-C392 HydrophobicContact CZ-CB 4.23Å; F274-C392 WeakPolarHBondContact CZ-O 3.22Å; C392-D433 PolarHBondContact SG-OD1 3.3Å
393	V	84.1	Confident	92	Very high	66 Å²	66	27.8 Å²	27.8	40%	0.4	14%	0.138	S	C	.	.	S	Bend	trans	-82.5	121.1	169.3	179.7	0	0	0	0	108.1	T391 Q396	T391-V393 PolarHBondContact OG1-N 2.72Å; T391-V393 PolarHBondContact OG1-O 2.96Å; V393-Q396 HydrophobicContact CB-CB 4.13Å; V393-Q396 HydrophobicContact CB-CG 4.28Å; V393-Q396 HydrophobicContact CG1-CB 4.29Å; V393-Q396 HydrophobicContact CG1-CG 3.95Å; V393-Q396 PolarHBondContact O-N 2.78Å
394	P	75.8	Confident	91.9	Very high	64 Å²	64	26.9 Å²	26.9	42%	0.416	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	145.4	178.8	32.1	-39.5	0	0	0	109.3	L272 Q396	L272-P394 HydrophobicContact CD1-CB 4.02Å; L272-P394 HydrophobicContact CD1-CG 3.68Å; P394-Q396 PolarHBondContact O-N 3.44Å
395	H	83.8	Confident	91.9	Very high	53 Å²	53	23.2 Å²	23.2	25%	0.245	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	4.4	-174.8	-49.8	-108.2	0	0	0	116.1	L411 N412	H395-L411 HydrophobicContact CB-CB 4.41Å; H395-L411 WeakPolarHBondContact O-CB 3.42Å; H395-L411 WeakPolarHBondContact O-CG 3.45Å; H395-L411 PolarHBondContact O-N 2.73Å; H395-N412 PolarHBondContact CE1-OD1 3.13Å; H395-N412 PolarHBondContact ND1-ND2 3.42Å; H395-N412 PolarHBondContact ND1-OD1 2.67Å
396	Q	90.3	Very high	91.8	Very high	54 Å²	54	23.7 Å²	23.7	25%	0.252	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.2	170.7	-74.3	-172.9	-0.5	0	0	113.1	T391 V393 P394 L408 W409	T391-Q396 HydrophobicContact CG2-CB 4.21Å; T391-Q396 PolarHBondContact N-O 2.79Å; T391-Q396 WeakPolarHBondContact OG1-CB 3.47Å; T391-Q396 PolarHBondContact OG1-O 2.84Å; V393-Q396 HydrophobicContact CB-CB 4.13Å; V393-Q396 HydrophobicContact CB-CG 4.28Å; V393-Q396 HydrophobicContact CG1-CB 4.29Å; V393-Q396 HydrophobicContact CG1-CG 3.95Å; V393-Q396 PolarHBondContact O-N 2.78Å; P394-Q396 PolarHBondContact O-N 3.44Å; Q396-L408 HydrophobicContact CB-CD1 4.26Å; Q396-W409 WeakPolarHBondContact CA-O 3.32Å
397	V	93.9	Very high	91.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.9	-177.5	157.9	0	0	0	0	110.5	L356 L378 R389 F390 T399 W409 L411	L356-V397 HydrophobicContact CD1-CG1 3.91Å; L356-V397 HydrophobicContact CD2-CB 4.38Å; L356-V397 HydrophobicContact CD2-CG1 3.56Å; L356-V397 HydrophobicContact CD2-CG2 3.88Å; L356-V397 HydrophobicContact CG-CG1 4.4Å; L378-V397 HydrophobicContact CD1-CG1 3.97Å; R389-V397 WeakPolarHBondContact O-CA 3.44Å; F390-V397 HydrophobicContact CD1-CG2 3.57Å; F390-V397 HydrophobicContact CE1-CG2 3.81Å; F390-V397 HydrophobicContact CG-CG2 4.29Å; V397-T399 HydrophobicContact CG1-CG2 4.27Å; V397-W409 PolarHBondContact N-O 3.46Å; V397-W409 PolarHBondContact O-N 3.13Å; V397-L411 HydrophobicContact CB-CD2 4.23Å; V397-L411 HydrophobicContact CB-CG 4.46Å; V397-L411 HydrophobicContact CG2-CD1 3.74Å; V397-L411 HydrophobicContact CG2-CD2 4.02Å; V397-L411 HydrophobicContact CG2-CG 4.02Å
398	V	94.9	Very high	91.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.3	173.1	180	0	0	0	0	110.3	A388 R389 T391 V406 R407 L408 L429 I436	A388-V398 CarbonylContact C-O 3.57Å; A388-V398 VanDerWaalsContact CA-O 3.29Å; A388-V398 WeakPolarHBondContact CA-O 3.3Å; R389-V398 PolarHBondContact N-O 3.35Å; R389-V398 PolarHBondContact O-N 3.49Å; T391-V398 HydrophobicContact CG2-CG2 3.66Å; V398-V406 HydrophobicContact CG1-CG1 3.6Å; V398-R407 CarbonylContact C-O 3.58Å; V398-R407 VanDerWaalsContact CA-O 3.29Å; V398-R407 WeakPolarHBondContact CA-O 3.2Å; V398-L408 HydrophobicContact CG2-CD1 3.58Å; V398-L429 HydrophobicContact CB-CD1 3.89Å; V398-L429 HydrophobicContact CG1-CD1 3.74Å; V398-L429 HydrophobicContact CG1-CD2 4.12Å; V398-I436 HydrophobicContact CG1-CG2 3.91Å; V398-I436 HydrophobicContact CG2-CD1 3.57Å; V398-I436 HydrophobicContact CG2-CG1 3.98Å; V398-I436 HydrophobicContact CG2-CG2 4.41Å
399	T	95.8	Very high	91.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.6	171.8	62.1	0	0	0	0	111.3	A364 H381 V385 A387 A388 V397 V406 R407 W409	A364-T399 HydrophobicContact CB-CG2 3.68Å; H381-T399 PolarHBondContact NE2-OG1 3.01Å; V385-T399 HydrophobicContact CG1-CG2 4.41Å; A387-T399 WeakPolarHBondContact O-CA 3.5Å; A388-T399 HydrophobicContact CB-CG2 3.95Å; V397-T399 HydrophobicContact CG1-CG2 4.27Å; T399-V406 WeakPolarHBondContact O-CA 3.23Å; T399-R407 PolarHBondContact N-O 2.88Å; T399-R407 PolarHBondContact O-N 3.03Å; T399-W409 PolarHBondContact OG1-NE1 2.84Å
400	G	95.1	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.4	175.9	0	0	0	0	0	110.4	V385 T386 A387	V385-G400 VanDerWaalsContact CG1-O 3.28Å; V385-G400 WeakPolarHBondContact CG1-O 3.36Å; T386-G400 PolarHBondContact N-O 2.98Å; T386-G400 PolarHBondContact OG1-O 3.12Å; T386-G400 VanDerWaalsContact OG1-O 3.12Å; A387-G400 PolarHBondContact N-O 2.82Å; A387-G400 PolarHBondContact O-N 2.92Å
401	S	95.9	Very high	91.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	160.8	-171.6	174.4	0	0	0	0	113.6	H381 R383 K384 D403 R404 T405 C426	H381-S401 VanDerWaalsContact CE1-CB 3.49Å; H381-S401 WeakPolarHBondContact CE1-CB 3.43Å; H381-S401 VanDerWaalsContact ND1-CB 3.26Å; H381-S401 WeakPolarHBondContact ND1-CB 3.15Å; R383-S401 PolarHBondContact O-OG 3Å; K384-S401 WeakPolarHBondContact O-CA 3.38Å; K384-S401 PolarHBondContact O-OG 3.49Å; S401-D403 VanDerWaalsContact CB-OD1 3.3Å; S401-D403 WeakPolarHBondContact CB-OD1 3.49Å; S401-D403 PolarHBondContact O-N 3.06Å; S401-D403 VanDerWaalsContact OG-CG 3.27Å; S401-D403 PolarHBondContact OG-N 3.06Å; S401-D403 PolarHBondContact OG-OD1 3.49Å; S401-R404 PolarHBondContact O-N 2.64Å; S401-T405 PolarHBondContact N-O 2.9Å; S401-C426 WeakPolarHBondContact O-CB 3.34Å; S401-C426 PolarHBondContact O-N 3.41Å
402	T	95.1	Very high	91.2	Very high	25 Å²	25	31.1 Å²	31.1	15%	0.153	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	2.6	167	65.4	0	0	0	0	113.5	R383 K384 T386 R404 F425	R383-T402 WeakPolarHBondContact CB-OG1 3.41Å; R383-T402 WeakPolarHBondContact CD-O 3.37Å; K384-T402 HydrophobicContact CD-CG2 4.38Å; K384-T402 HydrophobicContact CG-CG2 3.91Å; K384-T402 VanDerWaalsContact CG-OG1 3.32Å; K384-T402 WeakPolarHBondContact CG-OG1 3.43Å; K384-T402 PolarHBondContact O-N 3.45Å; K384-T402 VanDerWaalsContact O-N 3.13Å; T386-T402 HydrophobicContact CG2-CG2 3.71Å; T402-R404 PolarHBondContact O-N 3.34Å; T402-F425 HydrophobicContact CG2-CB 4.33Å; T402-F425 WeakPolarHBondContact O-CD1 3.42Å; T402-F425 VanDerWaalsContact O-CE1 3.28Å; T402-F425 WeakPolarHBondContact O-CE1 3.45Å
403	D	94.3	Very high	91.3	Very high	21 Å²	21	38.5 Å²	38.5	11%	0.112	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.7	162.4	68.5	18.2	0	0	0	113.8	H381 S382 R383 S401 T405	H381-D403 WeakPolarHBondContact CA-OD2 3.31Å; H381-D403 VanDerWaalsContact CB-OD2 3.26Å; H381-D403 WeakPolarHBondContact CB-OD2 3.39Å; H381-D403 IonicContact CE1-OD1 3.68Å; H381-D403 IonicContact CG-OD2 3.38Å; H381-D403 IonicContact ND1-OD1 2.95Å; H381-D403 PolarHBondContact ND1-OD1 2.89Å; H381-D403 IonicContact ND1-OD2 3.65Å; H381-D403 PolarHBondContact ND1-OD2 2.75Å; S382-D403 PolarHBondContact N-OD2 2.89Å; S382-D403 WeakPolarHBondContact OG-CB 3.27Å; R383-D403 HydrophobicContact CB-CB 4.01Å; R383-D403 HydrophobicContact CG-CB 4.02Å; S401-D403 VanDerWaalsContact CB-OD1 3.3Å; S401-D403 WeakPolarHBondContact CB-OD1 3.49Å; S401-D403 PolarHBondContact O-N 3.06Å; S401-D403 VanDerWaalsContact OG-CG 3.27Å; S401-D403 PolarHBondContact OG-N 3.06Å; S401-D403 PolarHBondContact OG-OD1 3.49Å; D403-T405 VanDerWaalsContact C-N 3.26Å; D403-T405 PolarHBondContact O-N 2.93Å; D403-T405 WeakPolarHBondContact OD1-CB 3.47Å; D403-T405 PolarHBondContact OD1-N 2.89Å; D403-T405 PolarHBondContact OD1-OG1 2.88Å
404	R	94.3	Very high	91.4	Very high	117 Å²	117	37.9 Å²	37.9	44%	0.442	19%	0.186	S	C	.	.	S	Bend	trans	69.1	18.3	-179.3	-41.6	172.8	174.2	162.1	-5.4	114	S401 T402 V422 F425	S401-R404 PolarHBondContact O-N 2.64Å; T402-R404 PolarHBondContact O-N 3.34Å; R404-V422 WeakPolarHBondContact CB-O 3.38Å; R404-V422 WeakPolarHBondContact O-CB 3.43Å; R404-V422 WeakPolarHBondContact O-CG2 3.49Å; R404-V422 PolarHBondContact O-N 2.88Å; R404-F425 HydrophobicContact CG-CD1 3.66Å; R404-F425 HydrophobicContact CG-CE1 4.03Å
405	T	94	Very high	92	Very high	10 Å²	10	36.3 Å²	36.3	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148	170.7	70	0	0	0	0	112.1	H381 S401 D403 Q419 G420	H381-T405 PolarHBondContact CE1-OG1 3.04Å; H381-T405 PolarHBondContact ND1-OG1 2.95Å; H381-T405 VanDerWaalsContact ND1-OG1 3.16Å; S401-T405 PolarHBondContact N-O 2.9Å; D403-T405 VanDerWaalsContact C-N 3.26Å; D403-T405 PolarHBondContact O-N 2.93Å; D403-T405 WeakPolarHBondContact OD1-CB 3.47Å; D403-T405 PolarHBondContact OD1-N 2.89Å; D403-T405 PolarHBondContact OD1-OG1 2.88Å; T405-Q419 HydrophobicContact CG2-CG 4.03Å; T405-G420 VanDerWaalsContact CA-O 3.29Å; T405-G420 WeakPolarHBondContact CA-O 3.39Å
406	V	94.3	Very high	92.4	Very high	10 Å²	10	36.2 Å²	36.2	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.7	164.3	-179.5	0	0	0	0	106.6	V398 T399 G420 V422 I436	V398-V406 HydrophobicContact CG1-CG1 3.6Å; T399-V406 WeakPolarHBondContact O-CA 3.23Å; V406-G420 PolarHBondContact N-O 3.28Å; V406-G420 PolarHBondContact O-N 2.81Å; V406-V422 HydrophobicContact CG2-CG2 4.4Å; V406-I436 HydrophobicContact CG1-CG2 4.42Å
407	R	94.1	Very high	92.4	Very high	39 Å²	39	36.8 Å²	36.8	15%	0.147	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.5	-174	-72.9	-176.3	172.7	-167.7	6.3	112	G380 V398 T399 W409 Q418 Q419	G380-R407 VanDerWaalsContact O-CZ 3.29Å; G380-R407 PolarHBondContact O-NH1 3.04Å; G380-R407 PolarHBondContact O-NH2 2.89Å; G380-R407 VanDerWaalsContact O-NH2 3.13Å; V398-R407 CarbonylContact C-O 3.58Å; V398-R407 VanDerWaalsContact CA-O 3.29Å; V398-R407 WeakPolarHBondContact CA-O 3.2Å; T399-R407 PolarHBondContact N-O 2.88Å; T399-R407 PolarHBondContact O-N 3.03Å; R407-W409 HydrophobicContact CB-CZ2 4.16Å; R407-Q418 WeakPolarHBondContact CA-O 3.49Å; R407-Q419 HydrophobicContact CG-CB 4.15Å; R407-Q419 HydrophobicContact CG-CG 3.99Å
408	L	93.8	Very high	92.1	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.2	170.6	-175.3	70.3	0	0	0	109.2	T391 Q396 V398 V417 Q418	T391-L408 HydrophobicContact CG2-CD1 3.94Å; Q396-L408 HydrophobicContact CB-CD1 4.26Å; V398-L408 HydrophobicContact CG2-CD1 3.58Å; L408-V417 PolarHBondContact O-N 3.4Å; L408-Q418 HydrophobicContact CB-CB 4.34Å; L408-Q418 PolarHBondContact N-O 3.45Å; L408-Q418 PolarHBondContact O-N 2.86Å
409	W	93.7	Very high	91.9	Very high	6 Å²	6	43.9 Å²	43.9	2%	0.023	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140	-177.3	-53.9	80.5	0	0	0	111.1	L378 T379 Q396 V397 T399 R407 A415 C416	L378-W409 HydrophobicContact CB-CD2 4.02Å; L378-W409 HydrophobicContact CB-CE3 3.96Å; L378-W409 HydrophobicContact CB-CH2 4.43Å; L378-W409 HydrophobicContact CB-CZ2 4.46Å; L378-W409 HydrophobicContact CB-CZ3 4.18Å; L378-W409 HydrophobicContact CD1-CB 4.03Å; L378-W409 HydrophobicContact CD1-CD2 4.21Å; L378-W409 HydrophobicContact CD1-CG 3.89Å; L378-W409 HydrophobicContact CD2-CB 4.14Å; L378-W409 HydrophobicContact CD2-CD2 4.14Å; L378-W409 HydrophobicContact CD2-CE3 3.85Å; L378-W409 HydrophobicContact CD2-CG 4.27Å; L378-W409 HydrophobicContact CG-CD2 4.34Å; L378-W409 HydrophobicContact CG-CE3 4.37Å; L378-W409 HydrophobicContact CG-CG 4.47Å; T379-W409 VanDerWaalsContact O-CH2 3.24Å; T379-W409 WeakPolarHBondContact O-CH2 3.46Å; T379-W409 WeakPolarHBondContact O-CZ3 2.97Å; Q396-W409 WeakPolarHBondContact CA-O 3.32Å; V397-W409 PolarHBondContact N-O 3.46Å; V397-W409 PolarHBondContact O-N 3.13Å; T399-W409 PolarHBondContact OG1-NE1 2.84Å; R407-W409 HydrophobicContact CB-CZ2 4.16Å; W409-A415 WeakPolarHBondContact CA-O 3Å; W409-C416 HydrophobicContact CD2-CB 4.28Å; W409-C416 HydrophobicContact CE3-CB 3.9Å; W409-C416 VanDerWaalsContact CE3-N 3.28Å; W409-C416 HydrophobicContact CH2-CB 4.15Å; W409-C416 HydrophobicContact CZ3-CB 3.83Å
410	D	91.6	Very high	91.5	Very high	33 Å²	33	44 Å²	44	18%	0.176	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116.5	167.9	173.2	-12.9	0	0	0	108.5	N412 R413 A414 A415 V417	D410-N412 VanDerWaalsContact C-N 3.31Å; D410-N412 PolarHBondContact O-N 2.78Å; D410-N412 WeakPolarHBondContact OD1-CA 3.39Å; D410-N412 VanDerWaalsContact OD1-CB 3.29Å; D410-N412 WeakPolarHBondContact OD1-CB 3.41Å; D410-N412 PolarHBondContact OD1-N 2.97Å; D410-R413 HydrophobicContact CB-CB 4.2Å; D410-R413 PolarHBondContact O-N 2.99Å; D410-R413 PolarHBondContact OD1-N 3.26Å; D410-R413 VanDerWaalsContact OD1-N 3.1Å; D410-R413 WeakPolarHBondContact OD2-CD 3.48Å; D410-R413 VanDerWaalsContact OD2-CG 3.23Å; D410-R413 WeakPolarHBondContact OD2-CG 3.4Å; D410-A414 WeakPolarHBondContact O-CA 3.27Å; D410-A414 PolarHBondContact O-N 3.36Å; D410-A415 PolarHBondContact N-O 2.7Å; D410-A415 PolarHBondContact O-N 3.04Å; D410-V417 HydrophobicContact CB-CG2 3.53Å
411	L	89.1	Confident	91.2	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.068	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.9	-178.8	-63.5	-176.8	0	0	0	113.8	L366 L378 F390 H395 V397	L366-L411 HydrophobicContact CD1-CD1 4.3Å; L366-L411 HydrophobicContact CD2-CD1 3.88Å; L366-L411 HydrophobicContact CD2-CD2 4.18Å; L378-L411 HydrophobicContact CD1-CD2 4.13Å; L378-L411 HydrophobicContact CD2-CD2 4.24Å; F390-L411 HydrophobicContact CE1-CD1 4.1Å; H395-L411 HydrophobicContact CB-CB 4.41Å; H395-L411 WeakPolarHBondContact O-CB 3.42Å; H395-L411 WeakPolarHBondContact O-CG 3.45Å; H395-L411 PolarHBondContact O-N 2.73Å; V397-L411 HydrophobicContact CB-CD2 4.23Å; V397-L411 HydrophobicContact CB-CG 4.46Å; V397-L411 HydrophobicContact CG2-CD1 3.74Å; V397-L411 HydrophobicContact CG2-CD2 4.02Å; V397-L411 HydrophobicContact CG2-CG 4.02Å
412	N	87.9	Confident	90.8	Very high	116 Å²	116	51.8 Å²	51.8	62%	0.62	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-33.2	174.3	-64.3	-29.8	0	0	0	111.2	H395 D410	H395-N412 PolarHBondContact CE1-OD1 3.13Å; H395-N412 PolarHBondContact ND1-ND2 3.42Å; H395-N412 PolarHBondContact ND1-OD1 2.67Å; D410-N412 VanDerWaalsContact C-N 3.31Å; D410-N412 PolarHBondContact O-N 2.78Å; D410-N412 WeakPolarHBondContact OD1-CA 3.39Å; D410-N412 VanDerWaalsContact OD1-CB 3.29Å; D410-N412 WeakPolarHBondContact OD1-CB 3.41Å; D410-N412 PolarHBondContact OD1-N 2.97Å
413	R	86.4	Confident	90.3	Very high	175 Å²	175	54.2 Å²	54.2	66%	0.66	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-10.6	174.7	-64.8	176.8	68.5	-161.4	-1.4	113.8	D410 A415	D410-R413 HydrophobicContact CB-CB 4.2Å; D410-R413 PolarHBondContact O-N 2.99Å; D410-R413 PolarHBondContact OD1-N 3.26Å; D410-R413 VanDerWaalsContact OD1-N 3.1Å; D410-R413 WeakPolarHBondContact OD2-CD 3.48Å; D410-R413 VanDerWaalsContact OD2-CG 3.23Å; D410-R413 WeakPolarHBondContact OD2-CG 3.4Å; R413-A415 HydrophobicContact CB-CB 4.09Å; R413-A415 PolarHBondContact O-N 3.47Å
414	A	85.3	Confident	90.3	Very high	53 Å²	53	53.9 Å²	53.9	44%	0.438	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	34.7	-171.3	0	0	0	0	0	113.3	V376 D410	V376-A414 HydrophobicContact CG1-CB 3.75Å; D410-A414 WeakPolarHBondContact O-CA 3.27Å; D410-A414 PolarHBondContact O-N 3.36Å
415	A	89	Confident	90.2	Very high	32 Å²	32	51.3 Å²	51.3	26%	0.264	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.3	-166.3	0	0	0	0	0	112.5	W409 D410 R413 V417	W409-A415 WeakPolarHBondContact CA-O 3Å; D410-A415 PolarHBondContact N-O 2.7Å; D410-A415 PolarHBondContact O-N 3.04Å; R413-A415 HydrophobicContact CB-CB 4.09Å; R413-A415 PolarHBondContact O-N 3.47Å; A415-V417 PolarHBondContact O-N 2.93Å
416	C	91.1	Very high	90.2	Very high	50 Å²	50	51 Å²	51	34%	0.338	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.8	169.8	-172.4	0	0	0	0	109.1	W409 Q418	W409-C416 HydrophobicContact CD2-CB 4.28Å; W409-C416 HydrophobicContact CE3-CB 3.9Å; W409-C416 VanDerWaalsContact CE3-N 3.28Å; W409-C416 HydrophobicContact CH2-CB 4.15Å; W409-C416 HydrophobicContact CZ3-CB 3.83Å; C416-Q418 PolarHBondContact SG-O 3.14Å
417	V	90.1	Very high	90.2	Very high	66 Å²	66	51.3 Å²	51.3	40%	0.4	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-44.5	178.6	-178.1	0	0	0	0	110.5	L408 D410 A415	L408-V417 PolarHBondContact O-N 3.4Å; D410-V417 HydrophobicContact CB-CG2 3.53Å; A415-V417 PolarHBondContact O-N 2.93Å
418	Q	88.5	Confident	90.2	Very high	58 Å²	58	49.6 Å²	49.6	27%	0.271	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.9	-178.7	-78.5	158.5	-54.4	0	0	110.3	R407 L408 C416 R451 V453	R407-Q418 WeakPolarHBondContact CA-O 3.49Å; L408-Q418 HydrophobicContact CB-CB 4.34Å; L408-Q418 PolarHBondContact N-O 3.45Å; L408-Q418 PolarHBondContact O-N 2.86Å; C416-Q418 PolarHBondContact SG-O 3.14Å; Q418-R451 PolarHBondContact NE2-O 2.91Å; Q418-R451 VanDerWaalsContact NE2-O 3.1Å; Q418-V453 HydrophobicContact CB-CB 4.22Å; Q418-V453 HydrophobicContact CB-CG1 4.25Å; Q418-V453 HydrophobicContact CB-CG2 3.86Å; Q418-V453 VanDerWaalsContact CD-CG2 3.46Å; Q418-V453 HydrophobicContact CG-CB 4.5Å; Q418-V453 HydrophobicContact CG-CG2 4.14Å
419	Q	90.8	Very high	90.3	Very high	91 Å²	91	49.3 Å²	49.3	43%	0.425	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.1	174.3	178.7	-176	-75.3	0	0	109.1	T405 R407	T405-Q419 HydrophobicContact CG2-CG 4.03Å; R407-Q419 HydrophobicContact CG-CB 4.15Å; R407-Q419 HydrophobicContact CG-CG 3.99Å
420	G	87.8	Confident	90.3	Very high	5 Å²	5	49.2 Å²	49.2	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.1	161.5	0	0	0	0	0	109.9	T405 V406	T405-G420 VanDerWaalsContact CA-O 3.29Å; T405-G420 WeakPolarHBondContact CA-O 3.39Å; V406-G420 PolarHBondContact N-O 3.28Å; V406-G420 PolarHBondContact O-N 2.81Å
421	E	88	Confident	90.3	Very high	151 Å²	151	48 Å²	48	71%	0.706	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	146.6	171.2	-174.1	169.5	174.1	0	0	110.5
422	V	88	Confident	90.2	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	27%	0.268	C	S	.	.			trans	-134.6	152.2	-172.9	-160.2	0	0	0	0	110.3	R404 V406 S424 W448	R404-V422 WeakPolarHBondContact CB-O 3.38Å; R404-V422 WeakPolarHBondContact O-CB 3.43Å; R404-V422 WeakPolarHBondContact O-CG2 3.49Å; R404-V422 PolarHBondContact O-N 2.88Å; V406-V422 HydrophobicContact CG2-CG2 4.4Å; V422-S424 PolarHBondContact O-N 3.02Å; V422-W448 HydrophobicContact CG2-CH2 3.84Å; V422-W448 HydrophobicContact CG2-CZ2 3.61Å
423	A	85.4	Confident	89.9	Confident	77 Å²	77	48.1 Å²	48.1	64%	0.636	27%	0.266	S	S	*	.	S	Bend	trans	-64.1	-20.2	174.6	0	0	0	0	0	114
424	S	92.4	Very high	89.8	Confident	14 Å²	14	42.2 Å²	42.2	10%	0.098	25%	0.252	C	S	.	.	S	Bend	trans	-141.3	160.2	-166.6	-166.2	0	0	0	0	114	V422 H440 D442	V422-S424 PolarHBondContact O-N 3.02Å; S424-H440 PolarHBondContact O-ND1 3Å; S424-D442 WeakPolarHBondContact CB-OD1 3.04Å; S424-D442 WeakPolarHBondContact OG-CB 3.37Å; S424-D442 PolarHBondContact OG-N 3.12Å; S424-D442 VanDerWaalsContact OG-N 3.11Å
425	F	93.4	Very high	90	Very high	63 Å²	63	41.2 Å²	41.2	28%	0.276	24%	0.242	S	C	.	.			trans	-63	134.7	-178.4	-51.9	-42.3	0	0	0	111.2	T402 R404 H440 F441	T402-F425 HydrophobicContact CG2-CB 4.33Å; T402-F425 WeakPolarHBondContact O-CD1 3.42Å; T402-F425 VanDerWaalsContact O-CE1 3.28Å; T402-F425 WeakPolarHBondContact O-CE1 3.45Å; R404-F425 HydrophobicContact CG-CD1 3.66Å; R404-F425 HydrophobicContact CG-CE1 4.03Å; F425-H440 VanDerWaalsContact O-CA 3.28Å; F425-H440 WeakPolarHBondContact O-CA 3.44Å; F425-H440 PolarHBondContact O-ND1 2.94Å; F425-F441 HydrophobicContact CB-CB 4.2Å; F425-F441 HydrophobicContact CD2-CB 4.37Å; F425-F441 HydrophobicContact CD2-CG 4.39Å; F425-F441 PolarHBondContact O-N 2.81Å; F425-F441 VanDerWaalsContact O-N 3.09Å
426	C	94.1	Very high	90.2	Very high	3 Å²	3	40 Å²	40	2%	0.02	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130	169.7	-159.8	0	0	0	0	109.4	T386 S401 D428 G439	T386-C426 WeakPolarHBondContact CB-O 3.49Å; T386-C426 PolarHBondContact OG1-O 3.05Å; S401-C426 WeakPolarHBondContact O-CB 3.34Å; S401-C426 PolarHBondContact O-N 3.41Å; C426-D428 PolarHBondContact SG-O 2.87Å; C426-D428 VanDerWaalsContact SG-O 3.4Å; C426-G439 WeakPolarHBondContact CA-O 3.33Å
427	S	93.3	Very high	90.4	Very high	17 Å²	17	37.7 Å²	37.7	12%	0.119	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-37.1	174.4	50.6	0	0	0	0	112.4	G439 V465	S427-G439 PolarHBondContact N-O 2.92Å; S427-G439 PolarHBondContact OG-O 3.23Å; S427-V465 WeakPolarHBondContact CB-O 3.32Å; S427-V465 PolarHBondContact OG-O 2.87Å
428	D	95.2	Very high	90.6	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	166.2	176.1	-149.2	-14	0	0	0	111.8	A387 R389 C426 G439 S467 L468 K513	A387-D428 VanDerWaalsContact CB-OD1 3.27Å; A387-D428 WeakPolarHBondContact CB-OD1 3.27Å; R389-D428 IonicContact NH2-OD1 2.78Å; C426-D428 PolarHBondContact SG-O 2.87Å; C426-D428 VanDerWaalsContact SG-O 3.4Å; D428-G439 PolarHBondContact O-N 3.16Å; D428-S467 WeakPolarHBondContact OD2-CA 3.49Å; D428-S467 VanDerWaalsContact OD2-CB 3.27Å; D428-S467 WeakPolarHBondContact OD2-CB 3.34Å; D428-L468 HydrophobicContact CB-CB 4.37Å; D428-L468 HydrophobicContact CB-CG 4.46Å; D428-L468 PolarHBondContact OD2-N 3.16Å; D428-K513 IonicContact OD1-NZ 3.45Å; D428-K513 PolarHBondContact OD1-NZ 2.78Å; D428-K513 IonicContact OD2-NZ 3.91Å; D428-K513 PolarHBondContact OD2-NZ 2.95Å
429	L	94.8	Very high	90.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	154.4	172.5	74.2	101	0	0	0	111.9	A387 R389 V398 I437	A387-L429 HydrophobicContact CB-CD2 3.88Å; A387-L429 HydrophobicContact CB-CG 3.92Å; A387-L429 WeakPolarHBondContact O-CD2 3.36Å; R389-L429 HydrophobicContact CB-CD1 3.68Å; R389-L429 HydrophobicContact CG-CD1 3.44Å; R389-L429 VanDerWaalsContact CG-CD1 3.44Å; R389-L429 HydrophobicContact CG-CG 4.02Å; R389-L429 VanDerWaalsContact CG-O 3.23Å; R389-L429 WeakPolarHBondContact CG-O 3.49Å; R389-L429 PolarHBondContact NE-O 2.89Å; V398-L429 HydrophobicContact CB-CD1 3.89Å; V398-L429 HydrophobicContact CG1-CD1 3.74Å; V398-L429 HydrophobicContact CG1-CD2 4.12Å; L429-I437 CarbonylContact C-O 3.57Å; L429-I437 VanDerWaalsContact CA-O 3.24Å; L429-I437 WeakPolarHBondContact CA-O 3.47Å
430	V	94.4	Very high	91.1	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	153.8	174.6	-69.2	0	0	0	0	109.8	I437 L468 L470 L477	V430-I437 HydrophobicContact CG2-CB 3.8Å; V430-I437 HydrophobicContact CG2-CG1 4.46Å; V430-I437 PolarHBondContact N-O 3.13Å; V430-I437 PolarHBondContact O-N 2.97Å; V430-L468 HydrophobicContact CG1-CB 3.84Å; V430-L468 VanDerWaalsContact CG1-O 3.29Å; V430-L468 WeakPolarHBondContact CG1-O 3.39Å; V430-L468 HydrophobicContact CG2-CB 4.12Å; V430-L468 HydrophobicContact CG2-CD1 4.24Å; V430-L470 HydrophobicContact CB-CD1 3.78Å; V430-L470 HydrophobicContact CB-CG 3.87Å; V430-L470 HydrophobicContact CG1-CG 4.39Å; V430-L470 HydrophobicContact CG2-CD1 3.81Å; V430-L470 HydrophobicContact CG2-CD2 4.26Å; V430-L470 HydrophobicContact CG2-CG 3.71Å; V430-L477 HydrophobicContact CG2-CD1 3.76Å
431	C	91.2	Very high	91.4	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.054	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.7	179.9	-65.3	0	0	0	0	111.1	L470	C431-L470 VanDerWaalsContact O-CD1 3.31Å; C431-L470 WeakPolarHBondContact O-CD1 3.36Å
432	S	86.9	Confident	91.6	Very high	22 Å²	22	26.7 Å²	26.7	15%	0.154	16%	0.158	C	C	.	.			trans	-120	177.7	167.8	-170.6	0	0	0	0	108.9	S434 S435	S432-S434 VanDerWaalsContact C-N 3.3Å; S432-S434 PolarHBondContact O-N 3.18Å; S432-S435 PolarHBondContact N-O 3.12Å; S432-S435 PolarHBondContact O-N 3.34Å
433	D	82.1	Confident	91.8	Very high	109 Å²	109	28.2 Å²	28.2	58%	0.583	17%	0.169	S	C	*	.	S	Bend	trans	-59.5	-36.3	-167.6	-55.7	-34.5	0	0	0	114.1	C392	C392-D433 PolarHBondContact SG-OD1 3.3Å
434	S	84.4	Confident	92.2	Very high	52 Å²	52	27.8 Å²	27.8	36%	0.364	15%	0.153	S	C	.	.	S	Bend	trans	-121.8	-4.6	178.7	61.1	0	0	0	0	114.1	S432 S450	S432-S434 VanDerWaalsContact C-N 3.3Å; S432-S434 PolarHBondContact O-N 3.18Å; S434-S450 PolarHBondContact O-N 3.18Å; S434-S450 PolarHBondContact O-OG 3.06Å
435	S	89.6	Confident	92.3	Very high	32 Å²	32	27.1 Å²	27.1	22%	0.224	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.7	-165.4	-53.7	0	0	0	0	111.9	S432 W448	S432-S435 PolarHBondContact N-O 3.12Å; S432-S435 PolarHBondContact O-N 3.34Å; S435-W448 CarbonylContact C-O 3.54Å; S435-W448 VanDerWaalsContact CA-O 3.29Å; S435-W448 WeakPolarHBondContact CA-O 3.37Å
436	I	92.8	Very high	92.3	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.7	170.9	-59.8	164.2	0	0	0	106.8	V398 V406 W448	V398-I436 HydrophobicContact CG1-CG2 3.91Å; V398-I436 HydrophobicContact CG2-CD1 3.57Å; V398-I436 HydrophobicContact CG2-CG1 3.98Å; V398-I436 HydrophobicContact CG2-CG2 4.41Å; V406-I436 HydrophobicContact CG1-CG2 4.42Å; I436-W448 HydrophobicContact CB-CB 4.29Å; I436-W448 PolarHBondContact N-O 2.94Å; I436-W448 PolarHBondContact O-N 3.43Å
437	I	94.4	Very high	92.2	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.2	178.5	-46.6	-178.3	0	0	0	109.1	L429 V430 I445 R446 V447 L468 L470 L477 L491	L429-I437 CarbonylContact C-O 3.57Å; L429-I437 VanDerWaalsContact CA-O 3.24Å; L429-I437 WeakPolarHBondContact CA-O 3.47Å; V430-I437 HydrophobicContact CG2-CB 3.8Å; V430-I437 HydrophobicContact CG2-CG1 4.46Å; V430-I437 PolarHBondContact N-O 3.13Å; V430-I437 PolarHBondContact O-N 2.97Å; I437-I445 HydrophobicContact CG2-CG2 3.35Å; I437-R446 CarbonylContact C-O 3.56Å; I437-R446 WeakPolarHBondContact CA-O 3.18Å; I437-V447 HydrophobicContact CG1-CG1 4.39Å; I437-V447 HydrophobicContact CG1-CG2 4.35Å; I437-V447 HydrophobicContact CG2-CG2 4.33Å; I437-L468 HydrophobicContact CG2-CD1 4.04Å; I437-L470 HydrophobicContact CD1-CD2 4.46Å; I437-L477 HydrophobicContact CD1-CD1 4.37Å; I437-L477 HydrophobicContact CD1-CD2 4.38Å; I437-L477 HydrophobicContact CG2-CD1 4.47Å; I437-L477 HydrophobicContact CG2-CD2 3.95Å; I437-L491 HydrophobicContact CD1-CD1 3.7Å; I437-L491 HydrophobicContact CD1-CD2 3.87Å; I437-L491 HydrophobicContact CD1-CG 4.47Å
438	S	95.1	Very high	92.1	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.7	-178.6	57.1	0	0	0	0	111.8	H440 I445 R446 W448	S438-H440 WeakPolarHBondContact CB-NE2 3.42Å; S438-H440 PolarHBondContact O-CD2 2.85Å; S438-H440 PolarHBondContact O-NE2 2.84Å; S438-H440 PolarHBondContact OG-CE1 2.96Å; S438-H440 PolarHBondContact OG-NE2 3.12Å; S438-I445 CarbonylContact O-C 3.55Å; S438-I445 WeakPolarHBondContact O-CA 3.23Å; S438-R446 PolarHBondContact N-O 3.08Å; S438-R446 PolarHBondContact O-N 2.94Å; S438-W448 PolarHBondContact OG-NE1 3.41Å
439	G	95	Very high	91.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	140.2	175.4	0	0	0	0	0	110.6	C426 S427 D428 L468	C426-G439 WeakPolarHBondContact CA-O 3.33Å; S427-G439 PolarHBondContact N-O 2.92Å; S427-G439 PolarHBondContact OG-O 3.23Å; D428-G439 PolarHBondContact O-N 3.16Å; G439-L468 VanDerWaalsContact N-CD1 3.34Å
440	H	94.9	Very high	91.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	160.5	-172.8	-59.1	-86.3	0	0	0	114.9	S424 F425 S438 D442 K444 R446 V465	S424-H440 PolarHBondContact O-ND1 3Å; F425-H440 VanDerWaalsContact O-CA 3.28Å; F425-H440 WeakPolarHBondContact O-CA 3.44Å; F425-H440 PolarHBondContact O-ND1 2.94Å; S438-H440 WeakPolarHBondContact CB-NE2 3.42Å; S438-H440 PolarHBondContact O-CD2 2.85Å; S438-H440 PolarHBondContact O-NE2 2.84Å; S438-H440 PolarHBondContact OG-CE1 2.96Å; S438-H440 PolarHBondContact OG-NE2 3.12Å; H440-D442 VanDerWaalsContact C-N 3.28Å; H440-D442 WeakPolarHBondContact CB-OD1 3.19Å; H440-D442 IonicContact CG-OD1 2.78Å; H440-D442 PolarHBondContact O-N 2.94Å; H440-K444 WeakPolarHBondContact CB-O 3.23Å; H440-K444 PolarHBondContact N-O 2.91Å; H440-R446 PolarHBondContact CD2-NH1 2.82Å; H440-R446 VanDerWaalsContact CD2-NH1 3.31Å; H440-R446 VanDerWaalsContact CG-NH1 3.32Å; H440-V465 PolarHBondContact O-N 2.96Å
441	F	93.6	Very high	90.7	Very high	85 Å²	85	36.6 Å²	36.6	37%	0.373	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.4	177.9	-161.2	-84.4	0	0	0	113.5	F425 C443 R464 D510	F425-F441 HydrophobicContact CB-CB 4.2Å; F425-F441 HydrophobicContact CD2-CB 4.37Å; F425-F441 HydrophobicContact CD2-CG 4.39Å; F425-F441 PolarHBondContact O-N 2.81Å; F425-F441 VanDerWaalsContact O-N 3.09Å; F441-C443 PolarHBondContact O-N 2.8Å; F441-R464 WeakPolarHBondContact O-CG 3.49Å; F441-D510 WeakPolarHBondContact CE2-OD2 3.39Å
442	D	93.2	Very high	89.9	Confident	53 Å²	53	39.8 Å²	39.8	28%	0.283	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	28.3	176.6	65	-35.3	0	0	0	113.7	S424 H440 K444 R446	S424-D442 WeakPolarHBondContact CB-OD1 3.04Å; S424-D442 WeakPolarHBondContact OG-CB 3.37Å; S424-D442 PolarHBondContact OG-N 3.12Å; S424-D442 VanDerWaalsContact OG-N 3.11Å; H440-D442 VanDerWaalsContact C-N 3.28Å; H440-D442 WeakPolarHBondContact CB-OD1 3.19Å; H440-D442 IonicContact CG-OD1 2.78Å; H440-D442 PolarHBondContact O-N 2.94Å; D442-K444 PolarHBondContact O-N 3.28Å; D442-R446 IonicContact OD1-CZ 2.84Å; D442-R446 IonicContact OD1-NH1 3.14Å; D442-R446 PolarHBondContact OD1-NH1 3.03Å; D442-R446 IonicContact OD1-NH2 2.67Å; D442-R446 IonicContact OD2-CZ 3.81Å; D442-R446 IonicContact OD2-NH1 2.74Å; D442-R446 PolarHBondContact OD2-NH1 2.97Å; D442-R446 IonicContact OD2-NH2 2.82Å; D442-R446 PolarHBondContact OD2-NH2 2.8Å
443	C	92.8	Very high	89.1	Confident	44 Å²	44	39.9 Å²	39.9	30%	0.297	21%	0.205	S	C	.	.	S	Bend	trans	52.3	40.3	-177.3	-53.6	0	0	0	0	112.9	F441 S461 R464	F441-C443 PolarHBondContact O-N 2.8Å; C443-S461 WeakPolarHBondContact CA-OG 3.39Å; C443-S461 PolarHBondContact O-N 3.38Å; C443-S461 PolarHBondContact O-OG 3.44Å; C443-R464 PolarHBondContact SG-N 2.8Å; C443-R464 VanDerWaalsContact SG-N 3.41Å
444	K	93.2	Very high	89	Confident	67 Å²	67	39.7 Å²	39.7	29%	0.291	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	143.5	177.9	-73.3	179.3	176.7	-174.2	0	111.3	H440 D442 R446 E458 L459	H440-K444 WeakPolarHBondContact CB-O 3.23Å; H440-K444 PolarHBondContact N-O 2.91Å; D442-K444 PolarHBondContact O-N 3.28Å; K444-R446 VanDerWaalsContact CD-NH2 3.35Å; K444-E458 WeakPolarHBondContact CE-OE2 3.38Å; K444-E458 IonicContact NZ-OE1 3.93Å; K444-E458 IonicContact NZ-OE2 3.44Å; K444-E458 PolarHBondContact NZ-OE2 2.96Å; K444-L459 WeakPolarHBondContact CA-O 3.25Å
445	I	94.3	Very high	89	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	134.7	165.4	-55	169.5	0	0	0	105.7	I437 S438 L459 V465 L468 L477	I437-I445 HydrophobicContact CG2-CG2 3.35Å; S438-I445 CarbonylContact O-C 3.55Å; S438-I445 WeakPolarHBondContact O-CA 3.23Å; I445-L459 HydrophobicContact CB-CB 4.21Å; I445-L459 PolarHBondContact N-O 2.87Å; I445-L459 PolarHBondContact O-N 2.87Å; I445-V465 HydrophobicContact CG1-CG2 3.89Å; I445-L468 HydrophobicContact CD1-CD2 4.29Å; I445-L468 HydrophobicContact CG1-CD2 4.43Å; I445-L468 HydrophobicContact CG2-CD1 4.32Å; I445-L477 HydrophobicContact CD1-CD2 4.21Å; I445-L477 HydrophobicContact CG2-CD2 3.87Å
446	R	93	Very high	88.8	Confident	9 Å²	9	42.9 Å²	42.9	3%	0.034	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	-178.3	-67.5	-177	171.5	86.1	4.2	110.2	I437 S438 H440 D442 K444 W448 E458	I437-R446 CarbonylContact C-O 3.56Å; I437-R446 WeakPolarHBondContact CA-O 3.18Å; S438-R446 PolarHBondContact N-O 3.08Å; S438-R446 PolarHBondContact O-N 2.94Å; H440-R446 PolarHBondContact CD2-NH1 2.82Å; H440-R446 VanDerWaalsContact CD2-NH1 3.31Å; H440-R446 VanDerWaalsContact CG-NH1 3.32Å; D442-R446 IonicContact OD1-CZ 2.84Å; D442-R446 IonicContact OD1-NH1 3.14Å; D442-R446 PolarHBondContact OD1-NH1 3.03Å; D442-R446 IonicContact OD1-NH2 2.67Å; D442-R446 IonicContact OD2-CZ 3.81Å; D442-R446 IonicContact OD2-NH1 2.74Å; D442-R446 PolarHBondContact OD2-NH1 2.97Å; D442-R446 IonicContact OD2-NH2 2.82Å; D442-R446 PolarHBondContact OD2-NH2 2.8Å; K444-R446 VanDerWaalsContact CD-NH2 3.35Å; R446-W448 HydrophobicContact CB-CZ2 4.29Å; R446-E458 HydrophobicContact CG-CG 4.27Å; R446-E458 IonicContact CZ-OE1 3.75Å; R446-E458 IonicContact NE-OE1 2.73Å; R446-E458 PolarHBondContact NE-OE1 2.93Å; R446-E458 IonicContact NH2-OE1 2.75Å; R446-E458 PolarHBondContact NH2-OE1 3.41Å
447	V	92.7	Very high	88.6	Confident	14 Å²	14	46.2 Å²	46.2	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.4	174	-172.8	0	0	0	0	108.3	I437 C455 V456 Q457 L459	I437-V447 HydrophobicContact CG1-CG1 4.39Å; I437-V447 HydrophobicContact CG1-CG2 4.35Å; I437-V447 HydrophobicContact CG2-CG2 4.33Å; V447-C455 CarbonylContact O-C 3.48Å; V447-C455 WeakPolarHBondContact O-CA 3.42Å; V447-V456 PolarHBondContact O-N 3.49Å; V447-Q457 HydrophobicContact CB-CB 4.14Å; V447-Q457 HydrophobicContact CG2-CB 4.36Å; V447-Q457 PolarHBondContact N-O 2.95Å; V447-Q457 PolarHBondContact O-N 3.09Å; V447-L459 HydrophobicContact CG2-CD1 4.01Å
448	W	91.4	Very high	88.4	Confident	16 Å²	16	50.4 Å²	50.4	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.4	179.8	-47.6	75.1	0	0	0	109	V422 S435 I436 S438 R446 N454 C455	V422-W448 HydrophobicContact CG2-CH2 3.84Å; V422-W448 HydrophobicContact CG2-CZ2 3.61Å; S435-W448 CarbonylContact C-O 3.54Å; S435-W448 VanDerWaalsContact CA-O 3.29Å; S435-W448 WeakPolarHBondContact CA-O 3.37Å; I436-W448 HydrophobicContact CB-CB 4.29Å; I436-W448 PolarHBondContact N-O 2.94Å; I436-W448 PolarHBondContact O-N 3.43Å; S438-W448 PolarHBondContact OG-NE1 3.41Å; R446-W448 HydrophobicContact CB-CZ2 4.29Å; W448-N454 WeakPolarHBondContact CA-O 3.37Å; W448-C455 HydrophobicContact CD2-CB 4.06Å; W448-C455 HydrophobicContact CE3-CB 3.81Å; W448-C455 HydrophobicContact CH2-CB 4.06Å; W448-C455 HydrophobicContact CZ2-CB 4.31Å; W448-C455 HydrophobicContact CZ3-CB 3.82Å
449	D	89.1	Confident	88.2	Confident	34 Å²	34	50.7 Å²	50.7	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.1	166.9	158.9	39.5	0	0	0	109	R451 T452 V453 N454 V456	D449-R451 PolarHBondContact O-N 3.43Å; D449-R451 WeakPolarHBondContact OD1-CB 3.49Å; D449-R451 PolarHBondContact OD1-N 2.79Å; D449-T452 VanDerWaalsContact OD2-CB 3.25Å; D449-T452 WeakPolarHBondContact OD2-CB 3.42Å; D449-T452 VanDerWaalsContact OD2-CG2 3.27Å; D449-T452 WeakPolarHBondContact OD2-CG2 3.43Å; D449-T452 PolarHBondContact OD2-N 3.49Å; D449-T452 PolarHBondContact OD2-OG1 2.95Å; D449-V453 VanDerWaalsContact O-CA 3.26Å; D449-V453 WeakPolarHBondContact O-CA 3.44Å; D449-V453 PolarHBondContact O-N 2.8Å; D449-N454 PolarHBondContact N-O 2.87Å; D449-V456 HydrophobicContact CB-CG2 3.82Å
450	S	83.2	Confident	87.9	Confident	18 Å²	18	54.3 Å²	54.3	13%	0.126	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.3	-178.7	65.4	0	0	0	0	113.4	S434	S434-S450 PolarHBondContact O-N 3.18Å; S434-S450 PolarHBondContact O-OG 3.06Å
451	R	81.5	Confident	87.5	Confident	195 Å²	195	54.9 Å²	54.9	74%	0.736	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-50.5	-178.6	-58.8	172	178.5	165.7	1	111.7	Q418 D449	Q418-R451 PolarHBondContact NE2-O 2.91Å; Q418-R451 VanDerWaalsContact NE2-O 3.1Å; D449-R451 PolarHBondContact O-N 3.43Å; D449-R451 WeakPolarHBondContact OD1-CB 3.49Å; D449-R451 PolarHBondContact OD1-N 2.79Å
452	T	75.6	Confident	87.1	Confident	76 Å²	76	55.4 Å²	55.4	47%	0.466	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-19.2	-177.9	63.4	0	0	0	0	114.2	D449 N454	D449-T452 VanDerWaalsContact OD2-CB 3.25Å; D449-T452 WeakPolarHBondContact OD2-CB 3.42Å; D449-T452 VanDerWaalsContact OD2-CG2 3.27Å; D449-T452 WeakPolarHBondContact OD2-CG2 3.43Å; D449-T452 PolarHBondContact OD2-N 3.49Å; D449-T452 PolarHBondContact OD2-OG1 2.95Å; T452-N454 WeakPolarHBondContact CB-ND2 3.5Å; T452-N454 PolarHBondContact O-N 3.42Å; T452-N454 VanDerWaalsContact O-N 3.15Å; T452-N454 PolarHBondContact OG1-ND2 3.48Å
453	V	68.8	Low	87	Confident	24 Å²	24	52.9 Å²	52.9	15%	0.145	28%	0.275	C	S	.	.			trans	55.6	25.1	-176	-175.8	0	0	0	0	112.8	Q418 D449	Q418-V453 HydrophobicContact CB-CB 4.22Å; Q418-V453 HydrophobicContact CB-CG1 4.25Å; Q418-V453 HydrophobicContact CB-CG2 3.86Å; Q418-V453 VanDerWaalsContact CD-CG2 3.46Å; Q418-V453 HydrophobicContact CG-CB 4.5Å; Q418-V453 HydrophobicContact CG-CG2 4.14Å; D449-V453 VanDerWaalsContact O-CA 3.26Å; D449-V453 WeakPolarHBondContact O-CA 3.44Å; D449-V453 PolarHBondContact O-N 2.8Å
454	N	80	Confident	87	Confident	104 Å²	104	54.3 Å²	54.3	56%	0.556	27%	0.274	S	S	*	.			trans	-80.5	142.3	163.2	-67.7	-53.6	0	0	0	109.8	W448 D449 T452 V456	W448-N454 WeakPolarHBondContact CA-O 3.37Å; D449-N454 PolarHBondContact N-O 2.87Å; T452-N454 WeakPolarHBondContact CB-ND2 3.5Å; T452-N454 PolarHBondContact O-N 3.42Å; T452-N454 VanDerWaalsContact O-N 3.15Å; T452-N454 PolarHBondContact OG1-ND2 3.48Å; N454-V456 PolarHBondContact O-N 3.43Å
455	C	84.6	Confident	87.1	Confident	49 Å²	49	51.3 Å²	51.3	33%	0.331	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	112.2	166.5	-173.8	0	0	0	0	108.4	V447 W448	V447-C455 CarbonylContact O-C 3.48Å; V447-C455 WeakPolarHBondContact O-CA 3.42Å; W448-C455 HydrophobicContact CD2-CB 4.06Å; W448-C455 HydrophobicContact CE3-CB 3.81Å; W448-C455 HydrophobicContact CH2-CB 4.06Å; W448-C455 HydrophobicContact CZ2-CB 4.31Å; W448-C455 HydrophobicContact CZ3-CB 3.82Å
456	V	86.6	Confident	87.1	Confident	102 Å²	102	51.3 Å²	51.3	62%	0.618	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	-32.5	-177.4	-179.4	0	0	0	0	110.8	V447 D449 N454	V447-V456 PolarHBondContact O-N 3.49Å; D449-V456 HydrophobicContact CB-CG2 3.82Å; N454-V456 PolarHBondContact O-N 3.43Å
457	Q	87.7	Confident	87.2	Confident	76 Å²	76	51 Å²	51	36%	0.355	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	131.4	-174.3	-164.1	177.4	35.8	0	0	111	V447 L459 N495	V447-Q457 HydrophobicContact CB-CB 4.14Å; V447-Q457 HydrophobicContact CG2-CB 4.36Å; V447-Q457 PolarHBondContact N-O 2.95Å; V447-Q457 PolarHBondContact O-N 3.09Å; Q457-L459 HydrophobicContact CG-CD2 4Å; Q457-L459 HydrophobicContact CG-CG 4.17Å; Q457-N495 PolarHBondContact NE2-ND2 2.78Å; Q457-N495 VanDerWaalsContact NE2-ND2 3.15Å
458	E	90.7	Very high	87.4	Confident	91 Å²	91	50.4 Å²	50.4	43%	0.425	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.8	161.9	-61.6	-159.4	135.7	0	0	109.6	K444 R446	K444-E458 WeakPolarHBondContact CE-OE2 3.38Å; K444-E458 IonicContact NZ-OE1 3.93Å; K444-E458 IonicContact NZ-OE2 3.44Å; K444-E458 PolarHBondContact NZ-OE2 2.96Å; R446-E458 HydrophobicContact CG-CG 4.27Å; R446-E458 IonicContact CZ-OE1 3.75Å; R446-E458 IonicContact NE-OE1 2.73Å; R446-E458 PolarHBondContact NE-OE1 2.93Å; R446-E458 IonicContact NH2-OE1 2.75Å; R446-E458 PolarHBondContact NH2-OE1 3.41Å
459	L	89.9	Confident	87.6	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.9	177.5	-63.9	170	0	0	0	107.6	K444 I445 V447 Q457 L489 N495	K444-L459 WeakPolarHBondContact CA-O 3.25Å; I445-L459 HydrophobicContact CB-CB 4.21Å; I445-L459 PolarHBondContact N-O 2.87Å; I445-L459 PolarHBondContact O-N 2.87Å; V447-L459 HydrophobicContact CG2-CD1 4.01Å; Q457-L459 HydrophobicContact CG-CD2 4Å; Q457-L459 HydrophobicContact CG-CG 4.17Å; L459-L489 HydrophobicContact CD1-CD2 4Å; L459-N495 VanDerWaalsContact CD2-OD1 3.31Å; L459-N495 WeakPolarHBondContact CD2-OD1 3.03Å
460	P	89.8	Confident	87.7	Confident	77 Å²	77	48.9 Å²	48.9	50%	0.5	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	144.6	175.7	27.1	-33.3	0	0	0	110	R497	P460-R497 PolarHBondContact O-NH1 3.43Å; P460-R497 PolarHBondContact O-NH2 3.31Å
461	S	86.9	Confident	88.1	Confident	12 Å²	12	48.2 Å²	48.2	8%	0.084	25%	0.245	C	C	.	.			trans	-105.6	161.9	166.2	55.1	0	0	0	0	110	C443 G463 V465	C443-S461 WeakPolarHBondContact CA-OG 3.39Å; C443-S461 PolarHBondContact O-N 3.38Å; C443-S461 PolarHBondContact O-OG 3.44Å; S461-G463 VanDerWaalsContact C-N 3.35Å; S461-G463 PolarHBondContact OG-O 3.36Å; S461-V465 WeakPolarHBondContact OG-CG2 3.37Å
462	Q	85.4	Confident	88.2	Confident	96 Å²	96	42 Å²	42	45%	0.449	23%	0.232	S	C	.	.	S	Bend	trans	-63.6	-42.8	177.7	-89.1	176.1	11.8	0	0	111.8
463	G	89.6	Confident	88.5	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-134.4	-172.8	178.5	0	0	0	0	0	112.6	S461 V465 D483	S461-G463 VanDerWaalsContact C-N 3.35Å; S461-G463 PolarHBondContact OG-O 3.36Å; G463-V465 PolarHBondContact O-N 3.22Å; G463-D483 VanDerWaalsContact CA-CG 3.45Å; G463-D483 WeakPolarHBondContact CA-OD2 3.37Å
464	R	93.6	Very high	89.3	Confident	75 Å²	75	44.9 Å²	44.9	28%	0.283	24%	0.237	S	C	.	.			trans	-61.7	125.9	179	-58.9	-175.5	-79.2	126.9	-1.5	109.7	F441 C443 C481 R482 D510	F441-R464 WeakPolarHBondContact O-CG 3.49Å; C443-R464 PolarHBondContact SG-N 2.8Å; C443-R464 VanDerWaalsContact SG-N 3.41Å; R464-C481 WeakPolarHBondContact O-CA 3.49Å; R464-R482 HydrophobicContact CB-CB 3.94Å; R464-R482 VanDerWaalsContact NH2-CG 3.35Å; R464-R482 VanDerWaalsContact O-CB 3.3Å; R464-R482 WeakPolarHBondContact O-CB 3.25Å; R464-R482 PolarHBondContact O-N 2.87Å; R464-D510 IonicContact CZ-OD1 2.74Å; R464-D510 IonicContact NH1-OD1 3.83Å; R464-D510 PolarHBondContact NH1-OD1 3.27Å; R464-D510 IonicContact NH1-OD2 3.41Å; R464-D510 PolarHBondContact NH1-OD2 3.05Å; R464-D510 IonicContact NH2-OD1 3.85Å
465	V	95.1	Very high	89.6	Confident	4 Å²	4	45 Å²	45	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131	-178.4	-174.9	0	0	0	0	109.4	S427 H440 I445 S461 G463 L468 C480	S427-V465 WeakPolarHBondContact CB-O 3.32Å; S427-V465 PolarHBondContact OG-O 2.87Å; H440-V465 PolarHBondContact O-N 2.96Å; I445-V465 HydrophobicContact CG1-CG2 3.89Å; S461-V465 WeakPolarHBondContact OG-CG2 3.37Å; G463-V465 PolarHBondContact O-N 3.22Å; V465-L468 HydrophobicContact CG1-CD2 3.88Å; V465-L468 HydrophobicContact CG1-CG 4.22Å; V465-C480 WeakPolarHBondContact CA-O 3.47Å
466	T	94.5	Very high	89.9	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-32.1	178.3	60.2	0	0	0	0	112.4	C480 R482 T512	T466-C480 PolarHBondContact N-O 3.17Å; T466-C480 VanDerWaalsContact OG1-CB 3.32Å; T466-C480 WeakPolarHBondContact OG1-CB 3.46Å; T466-C480 PolarHBondContact OG1-O 3.04Å; T466-C480 PolarHBondContact OG1-SG 2.85Å; T466-C480 VanDerWaalsContact OG1-SG 3.33Å; T466-R482 HydrophobicContact CG2-CB 3.95Å; T466-T512 PolarHBondContact OG1-O 2.91Å
467	S	95.1	Very high	90.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	157.2	174.8	51.3	0	0	0	0	114.2	D428 S479 C480 T512 K513 A514	D428-S467 WeakPolarHBondContact OD2-CA 3.49Å; D428-S467 VanDerWaalsContact OD2-CB 3.27Å; D428-S467 WeakPolarHBondContact OD2-CB 3.34Å; S467-S479 WeakPolarHBondContact O-CA 3.28Å; S467-C480 PolarHBondContact O-N 2.96Å; S467-C480 WeakPolarHBondContact OG-CB 3.41Å; S467-T512 WeakPolarHBondContact CB-O 3.41Å; S467-T512 PolarHBondContact OG-O 3.32Å; S467-K513 WeakPolarHBondContact OG-CA 3.4Å; S467-A514 PolarHBondContact OG-N 3.28Å
468	L	96.1	Very high	90.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.5	172.3	-65.5	-176	0	0	0	110.2	R389 D428 V430 I437 G439 I445 V465 L477 L478	R389-L468 PolarHBondContact NH2-O 3.46Å; D428-L468 HydrophobicContact CB-CB 4.37Å; D428-L468 HydrophobicContact CB-CG 4.46Å; D428-L468 PolarHBondContact OD2-N 3.16Å; V430-L468 HydrophobicContact CG1-CB 3.84Å; V430-L468 VanDerWaalsContact CG1-O 3.29Å; V430-L468 WeakPolarHBondContact CG1-O 3.39Å; V430-L468 HydrophobicContact CG2-CB 4.12Å; V430-L468 HydrophobicContact CG2-CD1 4.24Å; I437-L468 HydrophobicContact CG2-CD1 4.04Å; G439-L468 VanDerWaalsContact N-CD1 3.34Å; I445-L468 HydrophobicContact CD1-CD2 4.29Å; I445-L468 HydrophobicContact CG1-CD2 4.43Å; I445-L468 HydrophobicContact CG2-CD1 4.32Å; V465-L468 HydrophobicContact CG1-CD2 3.88Å; V465-L468 HydrophobicContact CG1-CG 4.22Å; L468-L477 HydrophobicContact CB-CD1 4.34Å; L468-L477 HydrophobicContact CD1-CD1 4.49Å; L468-L477 HydrophobicContact CD2-CD1 4.2Å; L468-L477 HydrophobicContact CD2-CD2 4.47Å; L468-L477 HydrophobicContact CD2-CG 4.45Å; L468-L478 VanDerWaalsContact CA-O 3.31Å; L468-L478 WeakPolarHBondContact CA-O 3.39Å
469	D	95.2	Very high	90.8	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153	170	-148.8	42.6	0	0	0	109.8	R303 R389 L478 V515 I516	R303-D469 IonicContact CZ-OD1 3.97Å; R303-D469 IonicContact NH1-OD1 3.53Å; R303-D469 PolarHBondContact NH1-OD1 2.89Å; R303-D469 IonicContact NH1-OD2 3.71Å; R303-D469 IonicContact NH2-OD1 3.95Å; R303-D469 PolarHBondContact NH2-OD1 2.97Å; R303-D469 IonicContact NH2-OD2 3.45Å; R389-D469 IonicContact NH1-OD1 2.83Å; R389-D469 IonicContact NH2-OD1 3.65Å; D469-L478 HydrophobicContact CB-CB 4.47Å; D469-L478 PolarHBondContact N-O 2.9Å; D469-L478 PolarHBondContact O-N 2.98Å; D469-V515 WeakPolarHBondContact OD2-CA 3.49Å; D469-V515 WeakPolarHBondContact OD2-CB 3.27Å; D469-I516 PolarHBondContact OD2-N 2.95Å
470	L	92.8	Very high	91.1	Very high	13 Å²	13	32.3 Å²	32.3	7%	0.068	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	145.1	-179.1	-76.3	172.5	0	0	0	110.7	V430 C431 I437 L477 L491	V430-L470 HydrophobicContact CB-CD1 3.78Å; V430-L470 HydrophobicContact CB-CG 3.87Å; V430-L470 HydrophobicContact CG1-CG 4.39Å; V430-L470 HydrophobicContact CG2-CD1 3.81Å; V430-L470 HydrophobicContact CG2-CD2 4.26Å; V430-L470 HydrophobicContact CG2-CG 3.71Å; C431-L470 VanDerWaalsContact O-CD1 3.31Å; C431-L470 WeakPolarHBondContact O-CD1 3.36Å; I437-L470 HydrophobicContact CD1-CD2 4.46Å; L470-L477 HydrophobicContact CD2-CB 4.18Å; L470-L477 HydrophobicContact CD2-CD1 3.75Å; L470-L477 HydrophobicContact CG-CD1 4.36Å; L470-L491 HydrophobicContact CD2-CD1 3.81Å
471	S	90.1	Very high	91.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.021	14%	0.135	C	C	.	.			trans	-63.1	157.4	172.1	58.9	0	0	0	0	111.3	D473 R474 R475 Q476	S471-D473 WeakPolarHBondContact CB-OD1 3.44Å; S471-D473 PolarHBondContact O-N 3.34Å; S471-D473 PolarHBondContact OG-OD1 3.2Å; S471-R474 WeakPolarHBondContact O-CA 3.39Å; S471-R474 PolarHBondContact O-N 2.83Å; S471-R474 PolarHBondContact OG-N 2.67Å; S471-R475 PolarHBondContact OG-N 3.02Å; S471-Q476 PolarHBondContact N-O 3.32Å; S471-Q476 PolarHBondContact OG-N 2.83Å; S471-Q476 PolarHBondContact OG-O 3.46Å
472	S	84.4	Confident	91.5	Very high	65 Å²	65	30.6 Å²	30.6	46%	0.455	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-34.3	178	-171.8	0	0	0	0	112.4	R474 P518	S472-R474 VanDerWaalsContact C-N 3.3Å; S472-R474 PolarHBondContact O-N 3.08Å; S472-P518 WeakPolarHBondContact CB-O 3.35Å
473	D	81.9	Confident	91.7	Very high	80 Å²	80	29.6 Å²	29.6	43%	0.428	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	4.4	176.3	80.5	-19.8	0	0	0	114.9	S471 R475	S471-D473 WeakPolarHBondContact CB-OD1 3.44Å; S471-D473 PolarHBondContact O-N 3.34Å; S471-D473 PolarHBondContact OG-OD1 3.2Å; D473-R475 HydrophobicContact CB-CG 4.45Å; D473-R475 PolarHBondContact O-N 3.06Å; D473-R475 VanDerWaalsContact O-N 3.12Å; D473-R475 PolarHBondContact OD1-N 3.1Å; D473-R475 VanDerWaalsContact OD1-N 3.13Å; D473-R475 WeakPolarHBondContact OD2-CD 3.24Å; D473-R475 WeakPolarHBondContact OD2-CG 3.31Å; D473-R475 IonicContact OD2-CZ 2.73Å; D473-R475 IonicContact OD2-NE 3.88Å; D473-R475 PolarHBondContact OD2-NE 2.78Å
474	R	86.3	Confident	91.9	Very high	80 Å²	80	31.6 Å²	31.6	30%	0.302	15%	0.149	S	C	.	.	S	Bend	trans	56.9	16.9	-179.7	-52	-62.6	-171.4	-178.5	2.2	115.9	S471 S472	S471-R474 WeakPolarHBondContact O-CA 3.39Å; S471-R474 PolarHBondContact O-N 2.83Å; S471-R474 PolarHBondContact OG-N 2.67Å; S472-R474 VanDerWaalsContact C-N 3.3Å; S472-R474 PolarHBondContact O-N 3.08Å
475	R	85.6	Confident	91.8	Very high	106 Å²	106	28 Å²	28	40%	0.4	14%	0.136	S	C	.	.			trans	-88.7	-37.4	179.6	-57	-174.5	-154.8	-171.4	5.8	113.3	S471 D473 L491	S471-R475 PolarHBondContact OG-N 3.02Å; D473-R475 HydrophobicContact CB-CG 4.45Å; D473-R475 PolarHBondContact O-N 3.06Å; D473-R475 VanDerWaalsContact O-N 3.12Å; D473-R475 PolarHBondContact OD1-N 3.1Å; D473-R475 VanDerWaalsContact OD1-N 3.13Å; D473-R475 WeakPolarHBondContact OD2-CD 3.24Å; D473-R475 WeakPolarHBondContact OD2-CG 3.31Å; D473-R475 IonicContact OD2-CZ 2.73Å; D473-R475 IonicContact OD2-NE 3.88Å; D473-R475 PolarHBondContact OD2-NE 2.78Å; R475-L491 WeakPolarHBondContact O-CB 3.19Å; R475-L491 WeakPolarHBondContact O-CG 3.24Å; R475-L491 PolarHBondContact O-N 2.75Å
476	Q	90.6	Very high	91.8	Very high	56 Å²	56	27.8 Å²	27.8	26%	0.262	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.8	-174.8	-62.3	179.4	-11.6	0	0	110.8	S471 L488 L489	S471-Q476 PolarHBondContact N-O 3.32Å; S471-Q476 PolarHBondContact OG-N 2.83Å; S471-Q476 PolarHBondContact OG-O 3.46Å; Q476-L488 HydrophobicContact CB-CD1 3.97Å; Q476-L488 HydrophobicContact CB-CG 4.39Å; Q476-L489 CarbonylContact C-O 3.55Å; Q476-L489 VanDerWaalsContact CA-O 3.29Å; Q476-L489 WeakPolarHBondContact CA-O 3.42Å
477	L	94	Very high	91.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.5	173.3	177.9	70.9	0	0	0	109.4	V430 I437 I445 L468 L470 L488 L489 L491	V430-L477 HydrophobicContact CG2-CD1 3.76Å; I437-L477 HydrophobicContact CD1-CD1 4.37Å; I437-L477 HydrophobicContact CD1-CD2 4.38Å; I437-L477 HydrophobicContact CG2-CD1 4.47Å; I437-L477 HydrophobicContact CG2-CD2 3.95Å; I445-L477 HydrophobicContact CD1-CD2 4.21Å; I445-L477 HydrophobicContact CG2-CD2 3.87Å; L468-L477 HydrophobicContact CB-CD1 4.34Å; L468-L477 HydrophobicContact CD1-CD1 4.49Å; L468-L477 HydrophobicContact CD2-CD1 4.2Å; L468-L477 HydrophobicContact CD2-CD2 4.47Å; L468-L477 HydrophobicContact CD2-CG 4.45Å; L470-L477 HydrophobicContact CD2-CB 4.18Å; L470-L477 HydrophobicContact CD2-CD1 3.75Å; L470-L477 HydrophobicContact CG-CD1 4.36Å; L477-L488 WeakPolarHBondContact O-CA 3.44Å; L477-L489 HydrophobicContact CB-CB 4.47Å; L477-L489 PolarHBondContact N-O 3.01Å; L477-L489 PolarHBondContact O-N 3.46Å; L477-L491 HydrophobicContact CB-CD1 4.24Å; L477-L491 HydrophobicContact CB-CD2 3.96Å; L477-L491 HydrophobicContact CB-CG 4.12Å; L477-L491 HydrophobicContact CD2-CD2 4.22Å
478	L	95.4	Very high	91.6	Very high	2 Å²	2	28 Å²	28	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.5	165.3	178.6	63.4	0	0	0	109.2	L468 D469 L486 Q487 L488 A514 V515 I516 L523	L468-L478 VanDerWaalsContact CA-O 3.31Å; L468-L478 WeakPolarHBondContact CA-O 3.39Å; D469-L478 HydrophobicContact CB-CB 4.47Å; D469-L478 PolarHBondContact N-O 2.9Å; D469-L478 PolarHBondContact O-N 2.98Å; L478-L486 HydrophobicContact CD1-CB 4Å; L478-L486 HydrophobicContact CD1-CD2 4.19Å; L478-Q487 CarbonylContact C-O 3.6Å; L478-Q487 WeakPolarHBondContact CA-O 2.95Å; L478-L488 HydrophobicContact CB-CD1 4.31Å; L478-A514 HydrophobicContact CD2-CB 3.99Å; L478-V515 VanDerWaalsContact CD2-C 3.44Å; L478-I516 HydrophobicContact CB-CD1 3.69Å; L478-I516 HydrophobicContact CB-CG1 3.52Å; L478-I516 HydrophobicContact CD2-CG1 3.84Å; L478-I516 HydrophobicContact CG-CG1 4.28Å; L478-L523 HydrophobicContact CD1-CD1 3.97Å; L478-L523 HydrophobicContact CD1-CD2 4.11Å; L478-L523 HydrophobicContact CD2-CD2 4.31Å
479	S	95.3	Very high	91.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.4	172.3	173.2	0	0	0	0	110.1	S467 Q487	S467-S479 WeakPolarHBondContact O-CA 3.28Å; S479-Q487 PolarHBondContact N-O 2.94Å; S479-Q487 PolarHBondContact O-N 3.44Å
480	C	94.8	Very high	91.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128	170.8	-168.4	0	0	0	0	109.7	V465 T466 S467 L486 A514	V465-C480 WeakPolarHBondContact CA-O 3.47Å; T466-C480 PolarHBondContact N-O 3.17Å; T466-C480 VanDerWaalsContact OG1-CB 3.32Å; T466-C480 WeakPolarHBondContact OG1-CB 3.46Å; T466-C480 PolarHBondContact OG1-O 3.04Å; T466-C480 PolarHBondContact OG1-SG 2.85Å; T466-C480 VanDerWaalsContact OG1-SG 3.33Å; S467-C480 PolarHBondContact O-N 2.96Å; S467-C480 WeakPolarHBondContact OG-CB 3.41Å; C480-L486 HydrophobicContact CB-CD2 3.79Å; C480-A514 HydrophobicContact CB-CB 3.99Å
481	C	93.8	Very high	90.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	140.3	-179.7	-61.3	0	0	0	0	110.6	R464 D483 D484 C485 Q487 C507	R464-C481 WeakPolarHBondContact O-CA 3.49Å; C481-D483 PolarHBondContact O-N 3.26Å; C481-D484 PolarHBondContact O-N 2.87Å; C481-C485 WeakPolarHBondContact CB-O 3.4Å; C481-C485 PolarHBondContact N-O 3.42Å; C481-C485 PolarHBondContact O-N 3.38Å; C481-Q487 PolarHBondContact SG-OE1 3.02Å; C481-C507 PolarHBondContact O-SG 3.05Å
482	R	92.5	Very high	89.9	Confident	52 Å²	52	38.9 Å²	38.9	20%	0.196	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-12.2	179.7	-172.2	54.1	-103.3	-176.7	-5.8	114.7	R464 T466 D484 C507 G509 D510	R464-R482 HydrophobicContact CB-CB 3.94Å; R464-R482 VanDerWaalsContact NH2-CG 3.35Å; R464-R482 VanDerWaalsContact O-CB 3.3Å; R464-R482 WeakPolarHBondContact O-CB 3.25Å; R464-R482 PolarHBondContact O-N 2.87Å; T466-R482 HydrophobicContact CG2-CB 3.95Å; R482-D484 IonicContact NH2-OD1 3.45Å; R482-D484 PolarHBondContact O-N 3.43Å; R482-C507 PolarHBondContact NH1-O 3.32Å; R482-C507 PolarHBondContact NH2-O 2.77Å; R482-G509 VanDerWaalsContact NH1-C 3.3Å; R482-G509 VanDerWaalsContact NH1-N 3.19Å; R482-G509 PolarHBondContact NH1-O 2.94Å; R482-G509 VanDerWaalsContact NH1-O 3.12Å; R482-D510 VanDerWaalsContact CD-OD1 3.32Å; R482-D510 WeakPolarHBondContact CD-OD1 3.15Å
483	D	90	Very high	88.4	Confident	75 Å²	75	47.2 Å²	47.2	40%	0.401	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	34.1	176.8	-55.5	3.7	0	0	0	111	G463 C481 C485 R501	G463-D483 VanDerWaalsContact CA-CG 3.45Å; G463-D483 WeakPolarHBondContact CA-OD2 3.37Å; C481-D483 PolarHBondContact O-N 3.26Å; D483-C485 PolarHBondContact O-N 3.11Å; D483-R501 PolarHBondContact O-NH1 3.02Å
484	D	92.2	Very high	87.2	Confident	42 Å²	42	47.5 Å²	47.5	23%	0.225	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	50.4	175.9	-55.9	-32.3	0	0	0	113.1	C481 R482 R501 F505 K506 C507	C481-D484 PolarHBondContact O-N 2.87Å; R482-D484 IonicContact NH2-OD1 3.45Å; R482-D484 PolarHBondContact O-N 3.43Å; D484-R501 PolarHBondContact O-NH1 3Å; D484-F505 HydrophobicContact CB-CD1 4.42Å; D484-K506 WeakPolarHBondContact OD1-CA 3.31Å; D484-C507 PolarHBondContact OD1-N 3.09Å
485	C	91.9	Very high	86.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	134.9	-174.6	-169.4	0	0	0	0	111.5	C481 D483 R501	C481-C485 WeakPolarHBondContact CB-O 3.4Å; C481-C485 PolarHBondContact N-O 3.42Å; C481-C485 PolarHBondContact O-N 3.38Å; D483-C485 PolarHBondContact O-N 3.11Å; C485-R501 HydrophobicContact CB-CG 4.16Å; C485-R501 VanDerWaalsContact CB-CZ 3.5Å
486	L	94.6	Very high	85.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.2	167.1	-63.9	173.2	0	0	0	108.9	L478 C480 C499 F500 A514 L523 A525 W535	L478-L486 HydrophobicContact CD1-CB 4Å; L478-L486 HydrophobicContact CD1-CD2 4.19Å; C480-L486 HydrophobicContact CB-CD2 3.79Å; L486-C499 CarbonylContact O-C 3.5Å; L486-C499 WeakPolarHBondContact O-CA 3.48Å; L486-F500 HydrophobicContact CB-CB 4.25Å; L486-F500 PolarHBondContact N-O 3.06Å; L486-F500 PolarHBondContact O-N 3.35Å; L486-A514 HydrophobicContact CD2-CB 3.57Å; L486-L523 HydrophobicContact CD1-CB 4.19Å; L486-A525 HydrophobicContact CD1-CB 4.06Å; L486-A525 HydrophobicContact CD2-CB 4.15Å; L486-W535 HydrophobicContact CD1-CD2 4.23Å; L486-W535 HydrophobicContact CD1-CE3 3.56Å; L486-W535 HydrophobicContact CD1-CH2 3.81Å; L486-W535 HydrophobicContact CD1-CZ2 4.46Å; L486-W535 HydrophobicContact CD1-CZ3 3.34Å; L486-W535 HydrophobicContact CG-CZ3 4.46Å
487	Q	93.3	Very high	85.5	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.3	176.2	-52.3	-160.8	-80.4	0	0	109.8	L478 S479 C481 L489 M498 C499	L478-Q487 CarbonylContact C-O 3.6Å; L478-Q487 WeakPolarHBondContact CA-O 2.95Å; S479-Q487 PolarHBondContact N-O 2.94Å; S479-Q487 PolarHBondContact O-N 3.44Å; C481-Q487 PolarHBondContact SG-OE1 3.02Å; Q487-L489 HydrophobicContact CB-CD1 4.33Å; Q487-M498 WeakPolarHBondContact CA-O 3.47Å; Q487-C499 PolarHBondContact NE2-SG 3.22Å
488	L	93.8	Very high	85.2	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.1	174.1	-166.9	69.6	0	0	0	108.9	Q476 L477 L478 R497 M498 F500 I516 L523 V537	Q476-L488 HydrophobicContact CB-CD1 3.97Å; Q476-L488 HydrophobicContact CB-CG 4.39Å; L477-L488 WeakPolarHBondContact O-CA 3.44Å; L478-L488 HydrophobicContact CB-CD1 4.31Å; L488-R497 WeakPolarHBondContact O-CA 3.49Å; L488-M498 HydrophobicContact CB-CB 4.38Å; L488-M498 PolarHBondContact N-O 2.99Å; L488-M498 PolarHBondContact O-N 3.4Å; L488-F500 HydrophobicContact CB-CE2 3.81Å; L488-F500 HydrophobicContact CD2-CE2 4.31Å; L488-F500 HydrophobicContact CD2-CZ 4.43Å; L488-I516 HydrophobicContact CD1-CD1 4.04Å; L488-L523 HydrophobicContact CD1-CD2 4.1Å; L488-V537 HydrophobicContact CD2-CG1 3.58Å; L488-V537 HydrophobicContact CD2-CG2 4.1Å
489	L	91.4	Very high	85.1	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.2	179.3	-91.6	68.6	0	0	0	111.1	L459 Q476 L477 Q487 D496 R497	L459-L489 HydrophobicContact CD1-CD2 4Å; Q476-L489 CarbonylContact C-O 3.55Å; Q476-L489 VanDerWaalsContact CA-O 3.29Å; Q476-L489 WeakPolarHBondContact CA-O 3.42Å; L477-L489 HydrophobicContact CB-CB 4.47Å; L477-L489 PolarHBondContact N-O 3.01Å; L477-L489 PolarHBondContact O-N 3.46Å; Q487-L489 HydrophobicContact CB-CD1 4.33Å; L489-D496 WeakPolarHBondContact CA-O 3.01Å; L489-R497 HydrophobicContact CD1-CB 4.31Å; L489-R497 HydrophobicContact CD1-CG 3.89Å; L489-R497 HydrophobicContact CG-CG 4.08Å
490	D	88.7	Confident	85	Confident	56 Å²	56	55.3 Å²	55.3	30%	0.299	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.3	161.5	-169.7	-26.7	0	0	0	109.9	R492	D490-R492 VanDerWaalsContact C-N 3.33Å; D490-R492 WeakPolarHBondContact OD1-CB 3.37Å; D490-R492 PolarHBondContact OD1-N 2.69Å
491	L	82.4	Confident	84.9	Confident	50 Å²	50	61.4 Å²	61.4	26%	0.262	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-10.2	-178.4	-63.9	174.4	0	0	0	114.1	I437 L470 R475 L477	I437-L491 HydrophobicContact CD1-CD1 3.7Å; I437-L491 HydrophobicContact CD1-CD2 3.87Å; I437-L491 HydrophobicContact CD1-CG 4.47Å; L470-L491 HydrophobicContact CD2-CD1 3.81Å; R475-L491 WeakPolarHBondContact O-CB 3.19Å; R475-L491 WeakPolarHBondContact O-CG 3.24Å; R475-L491 PolarHBondContact O-N 2.75Å; L477-L491 HydrophobicContact CB-CD1 4.24Å; L477-L491 HydrophobicContact CB-CD2 3.96Å; L477-L491 HydrophobicContact CB-CG 4.12Å; L477-L491 HydrophobicContact CD2-CD2 4.22Å
492	R	74.5	Confident	84.7	Confident	142 Å²	142	62.5 Å²	62.5	54%	0.536	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-49.9	-168.1	-70.3	-166.9	165.3	-160.7	-1.9	114.5	D490	D490-R492 VanDerWaalsContact C-N 3.33Å; D490-R492 WeakPolarHBondContact OD1-CB 3.37Å; D490-R492 PolarHBondContact OD1-N 2.69Å
493	W	53.8	Low	84.5	Confident	240 Å²	240	67.7 Å²	67.7	91%	0.909	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.2	-40.4	-178.1	-102.1	-69.9	0	0	0	116.9
494	T	57.6	Low	84.3	Confident	86 Å²	86	66.4 Å²	66.4	53%	0.528	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-21.6	-170.4	59.8	0	0	0	0	113.9	D496	T494-D496 WeakPolarHBondContact CB-OD2 3.47Å; T494-D496 PolarHBondContact O-N 3.46Å; T494-D496 VanDerWaalsContact O-N 3.17Å; T494-D496 PolarHBondContact OG1-N 3.36Å; T494-D496 PolarHBondContact OG1-OD2 3.28Å
495	N	67	Low	84.3	Confident	47 Å²	47	64.7 Å²	64.7	25%	0.251	32%	0.319	S	S	.	.			trans	56.6	20	-170.3	-97.4	-37.4	0	0	0	113.1	Q457 L459 R497	Q457-N495 PolarHBondContact NE2-ND2 2.78Å; Q457-N495 VanDerWaalsContact NE2-ND2 3.15Å; L459-N495 VanDerWaalsContact CD2-OD1 3.31Å; L459-N495 WeakPolarHBondContact CD2-OD1 3.03Å; N495-R497 WeakPolarHBondContact O-CG 3.49Å
496	D	73.9	Confident	84.4	Confident	104 Å²	104	70 Å²	70	56%	0.556	34%	0.343	S	S	*	.			trans	-57.9	143.9	-178.7	-76.4	-44.8	0	0	0	111.4	L489 T494	L489-D496 WeakPolarHBondContact CA-O 3.01Å; T494-D496 WeakPolarHBondContact CB-OD2 3.47Å; T494-D496 PolarHBondContact O-N 3.46Å; T494-D496 VanDerWaalsContact O-N 3.17Å; T494-D496 PolarHBondContact OG1-N 3.36Å; T494-D496 PolarHBondContact OG1-OD2 3.28Å
497	R	83.9	Confident	84.3	Confident	91 Å²	91	70.1 Å²	70.1	34%	0.343	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	100.7	-165.7	-52.7	-171.3	163.8	-156.1	-16.6	111.8	P460 L488 L489 N495	P460-R497 PolarHBondContact O-NH1 3.43Å; P460-R497 PolarHBondContact O-NH2 3.31Å; L488-R497 WeakPolarHBondContact O-CA 3.49Å; L489-R497 HydrophobicContact CD1-CB 4.31Å; L489-R497 HydrophobicContact CD1-CG 3.89Å; L489-R497 HydrophobicContact CG-CG 4.08Å; N495-R497 WeakPolarHBondContact O-CG 3.49Å
498	M	89.1	Confident	83.8	Confident	110 Å²	110	70.5 Å²	70.5	54%	0.542	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.7	168.4	-62.1	-176.4	-178.2	0	0	108.8	Q487 L488 F500	Q487-M498 WeakPolarHBondContact CA-O 3.47Å; L488-M498 HydrophobicContact CB-CB 4.38Å; L488-M498 PolarHBondContact N-O 2.99Å; L488-M498 PolarHBondContact O-N 3.4Å; M498-F500 HydrophobicContact CB-CD2 4.41Å; M498-F500 HydrophobicContact CB-CE2 3.51Å; M498-F500 HydrophobicContact CB-CZ 3.84Å; M498-F500 HydrophobicContact SD-CZ 4.47Å
499	C	91.9	Very high	83.5	Confident	55 Å²	55	70.7 Å²	70.7	37%	0.372	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	111.5	-177.7	-65	0	0	0	0	109.4	L486 Q487	L486-C499 CarbonylContact O-C 3.5Å; L486-C499 WeakPolarHBondContact O-CA 3.48Å; Q487-C499 PolarHBondContact NE2-SG 3.22Å
500	F	93.3	Very high	83.3	Confident	2 Å²	2	74.1 Å²	74.1	1%	0.009	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.7	-176.8	-53.5	-105	0	0	0	109.4	L486 L488 M498 L523 W535	L486-F500 HydrophobicContact CB-CB 4.25Å; L486-F500 PolarHBondContact N-O 3.06Å; L486-F500 PolarHBondContact O-N 3.35Å; L488-F500 HydrophobicContact CB-CE2 3.81Å; L488-F500 HydrophobicContact CD2-CE2 4.31Å; L488-F500 HydrophobicContact CD2-CZ 4.43Å; M498-F500 HydrophobicContact CB-CD2 4.41Å; M498-F500 HydrophobicContact CB-CE2 3.51Å; M498-F500 HydrophobicContact CB-CZ 3.84Å; M498-F500 HydrophobicContact SD-CZ 4.47Å; F500-L523 HydrophobicContact CD1-CD1 4.22Å; F500-L523 HydrophobicContact CD2-CD1 3.45Å; F500-L523 VanDerWaalsContact CD2-CD1 3.45Å; F500-L523 HydrophobicContact CE1-CD1 4.19Å; F500-L523 HydrophobicContact CE2-CD1 3.46Å; F500-L523 VanDerWaalsContact CE2-CD1 3.46Å; F500-L523 HydrophobicContact CG-CD1 3.87Å; F500-L523 HydrophobicContact CZ-CD1 3.84Å; F500-W535 HydrophobicContact CB-CD2 4.46Å; F500-W535 HydrophobicContact CB-CG 4.1Å; F500-W535 HydrophobicContact CD1-CB 3.89Å; F500-W535 HydrophobicContact CD1-CG 4.22Å
501	R	92.6	Very high	83.2	Confident	127 Å²	127	73.7 Å²	73.7	48%	0.479	37%	0.371	S	S	.	.			trans	-136.8	161	177.9	-65.5	179	176.1	-86.9	-0.4	107.9	D483 D484 C485 W535	D483-R501 PolarHBondContact O-NH1 3.02Å; D484-R501 PolarHBondContact O-NH1 3Å; C485-R501 HydrophobicContact CB-CG 4.16Å; C485-R501 VanDerWaalsContact CB-CZ 3.5Å; R501-W535 PolarHBondContact O-NE1 3.12Å
502	A	90.9	Very high	83.7	Confident	23 Å²	23	71.3 Å²	71.3	19%	0.19	36%	0.358	C	S	.	.			trans	-153.1	148.7	174.6	0	0	0	0	0	110.3	G504 F505 Y533 W535 L542	A502-G504 PolarHBondContact O-N 3.23Å; A502-F505 HydrophobicContact CB-CB 4.08Å; A502-F505 PolarHBondContact O-N 3.39Å; A502-Y533 HydrophobicContact CB-CD1 3.66Å; A502-Y533 HydrophobicContact CB-CE1 3.83Å; A502-W535 HydrophobicContact CB-CZ2 3.72Å; A502-L542 HydrophobicContact CB-CB 4.45Å; A502-L542 HydrophobicContact CB-CD1 4.07Å; A502-L542 HydrophobicContact CB-CD2 4.09Å; A502-L542 HydrophobicContact CB-CG 4.44Å
503	D	87.3	Confident	84.7	Confident	162 Å²	162	65.8 Å²	65.8	87%	0.866	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	131.4	177	-65.6	-40.9	0	0	0	110.9	F505 Y533	D503-F505 VanDerWaalsContact C-N 3.26Å; D503-F505 PolarHBondContact O-N 2.94Å; D503-Y533 WeakPolarHBondContact O-CE1 3.46Å; D503-Y533 PolarHBondContact O-OH 2.64Å
504	G	86.3	Confident	86.7	Confident	47 Å²	47	54.5 Å²	54.5	49%	0.485	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-21.9	-175.2	0	0	0	0	0	115.6	A502 K506 Y533	A502-G504 PolarHBondContact O-N 3.23Å; G504-K506 PolarHBondContact O-N 2.96Å; G504-Y533 VanDerWaalsContact C-OH 3.26Å; G504-Y533 WeakPolarHBondContact CA-OH 3.11Å
505	F	93.2	Very high	88.6	Confident	6 Å²	6	50.5 Å²	50.5	3%	0.026	27%	0.272	C	S	.	.			trans	-62.8	123.2	177.3	173.5	-103.7	0	0	0	110.7	D484 A502 D503 A525 Y533 W535	D484-F505 HydrophobicContact CB-CD1 4.42Å; A502-F505 HydrophobicContact CB-CB 4.08Å; A502-F505 PolarHBondContact O-N 3.39Å; D503-F505 VanDerWaalsContact C-N 3.26Å; D503-F505 PolarHBondContact O-N 2.94Å; F505-A525 HydrophobicContact CE2-CB 3.65Å; F505-A525 HydrophobicContact CZ-CB 3.8Å; F505-Y533 HydrophobicContact CB-CD1 3.92Å; F505-Y533 HydrophobicContact CB-CD2 4.2Å; F505-Y533 HydrophobicContact CB-CE1 3.93Å; F505-Y533 HydrophobicContact CB-CE2 4.2Å; F505-Y533 HydrophobicContact CB-CG 4.06Å; F505-Y533 AromaticContact CD2-CD2 3.87Å; F505-Y533 HydrophobicContact CD2-CD2 3.87Å; F505-Y533 HydrophobicContact CD2-CE2 4.48Å; F505-Y533 AromaticContact CD2-CG 3.96Å; F505-Y533 HydrophobicContact CD2-CG 3.96Å; F505-Y533 HydrophobicContact CG-CG 4.42Å; F505-Y533 PolarHBondContact N-OH 2.99Å; F505-W535 HydrophobicContact CB-CH2 4.43Å; F505-W535 HydrophobicContact CB-CZ2 4.3Å; F505-W535 HydrophobicContact CD1-CH2 4.07Å; F505-W535 HydrophobicContact CD1-CZ2 4.2Å; F505-W535 AromaticContact CD2-CH2 3.66Å; F505-W535 HydrophobicContact CD2-CH2 3.66Å; F505-W535 HydrophobicContact CD2-CZ2 4.34Å; F505-W535 HydrophobicContact CE1-CH2 4.25Å; F505-W535 AromaticContact CE2-CH2 3.89Å; F505-W535 HydrophobicContact CE2-CH2 3.89Å; F505-W535 AromaticContact CG-CH2 3.77Å; F505-W535 HydrophobicContact CG-CH2 3.77Å; F505-W535 HydrophobicContact CG-CZ2 4Å; F505-W535 HydrophobicContact CZ-CH2 4.18Å
506	K	93.1	Very high	89.9	Confident	113 Å²	113	48.8 Å²	48.8	49%	0.491	26%	0.262	S	S	.	.			trans	-142.7	140.4	173.6	-61.7	-175	179.8	177.2	0	112	D484 G504 S527 T528	D484-K506 WeakPolarHBondContact OD1-CA 3.31Å; G504-K506 PolarHBondContact O-N 2.96Å; K506-S527 PolarHBondContact N-OG 3.35Å; K506-S527 VanDerWaalsContact N-OG 3.13Å; K506-S527 CarbonylContact O-C 3.58Å; K506-S527 WeakPolarHBondContact O-CA 3.28Å; K506-S527 PolarHBondContact O-OG 3.49Å; K506-T528 HydrophobicContact CB-CG2 4.15Å; K506-T528 PolarHBondContact O-N 2.86Å
507	C	91.8	Very high	90.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.007	24%	0.236	C	C	.	.			trans	-69.1	135.6	-178.1	-68.5	0	0	0	0	111.9	C481 R482 D484 G509 T528	C481-C507 PolarHBondContact O-SG 3.05Å; R482-C507 PolarHBondContact NH1-O 3.32Å; R482-C507 PolarHBondContact NH2-O 2.77Å; D484-C507 PolarHBondContact OD1-N 3.09Å; C507-G509 PolarHBondContact O-N 3.38Å; C507-T528 WeakPolarHBondContact O-CG2 3.33Å
508	G	83.8	Confident	91.2	Very high	10 Å²	10	40 Å²	40	10%	0.103	22%	0.223	C	C	.	.			trans	-67.2	-34.8	179.9	0	0	0	0	0	116	T512 S553 R571	G508-T512 WeakPolarHBondContact CA-OG1 3.27Å; G508-T512 PolarHBondContact N-OG1 3.32Å; G508-S553 WeakPolarHBondContact CA-OG 3.41Å; G508-R571 VanDerWaalsContact C-NH2 3.32Å; G508-R571 VanDerWaalsContact O-CZ 3.27Å; G508-R571 PolarHBondContact O-NH1 3.38Å; G508-R571 PolarHBondContact O-NH2 2.86Å
509	G	86.9	Confident	91.2	Very high	11 Å²	11	36.7 Å²	36.7	11%	0.113	21%	0.208	C	C	.	.	S	Bend	trans	-168.3	-162.2	174.3	0	0	0	0	0	111.4	R482 C507 S511 T512	R482-G509 VanDerWaalsContact NH1-C 3.3Å; R482-G509 VanDerWaalsContact NH1-N 3.19Å; R482-G509 PolarHBondContact NH1-O 2.94Å; R482-G509 VanDerWaalsContact NH1-O 3.12Å; C507-G509 PolarHBondContact O-N 3.38Å; G509-S511 PolarHBondContact O-N 3.21Å; G509-T512 PolarHBondContact N-OG1 3.06Å; G509-T512 VanDerWaalsContact N-OG1 3.08Å
510	D	87.4	Confident	91.1	Very high	74 Å²	74	34.8 Å²	34.8	40%	0.396	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	2.3	173.3	-64.3	-18.3	0	0	0	112.6	F441 R464 R482	F441-D510 WeakPolarHBondContact CE2-OD2 3.39Å; R464-D510 IonicContact CZ-OD1 2.74Å; R464-D510 IonicContact NH1-OD1 3.83Å; R464-D510 PolarHBondContact NH1-OD1 3.27Å; R464-D510 IonicContact NH1-OD2 3.41Å; R464-D510 PolarHBondContact NH1-OD2 3.05Å; R464-D510 IonicContact NH2-OD1 3.85Å; R482-D510 VanDerWaalsContact CD-OD1 3.32Å; R482-D510 WeakPolarHBondContact CD-OD1 3.15Å
511	S	86.4	Confident	91.1	Very high	46 Å²	46	37.3 Å²	37.3	32%	0.322	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	7.1	-177.4	69.1	0	0	0	0	114.1	G509 K513	G509-S511 PolarHBondContact O-N 3.21Å; S511-K513 PolarHBondContact O-N 3.27Å
512	T	94.2	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.			trans	-65.7	116.4	-175.1	-68.1	0	0	0	0	110.9	T466 S467 G508 G509 G526 T555	T466-T512 PolarHBondContact OG1-O 2.91Å; S467-T512 WeakPolarHBondContact CB-O 3.41Å; S467-T512 PolarHBondContact OG-O 3.32Å; G508-T512 WeakPolarHBondContact CA-OG1 3.27Å; G508-T512 PolarHBondContact N-OG1 3.32Å; G509-T512 PolarHBondContact N-OG1 3.06Å; G509-T512 VanDerWaalsContact N-OG1 3.08Å; T512-G526 WeakPolarHBondContact CG2-O 3.26Å; T512-T555 CarbonylContact C-O 3.4Å; T512-T555 VanDerWaalsContact CA-O 3.3Å; T512-T555 WeakPolarHBondContact CA-O 3.49Å
513	K	95.1	Very high	91.4	Very high	26 Å²	26	31.8 Å²	31.8	11%	0.113	19%	0.189	C	C	.	.			trans	-87.8	128	178.2	-50.6	-54.1	-167.2	174.3	0	111.2	D428 S467 S511 T555 A556 V557	D428-K513 IonicContact OD1-NZ 3.45Å; D428-K513 PolarHBondContact OD1-NZ 2.78Å; D428-K513 IonicContact OD2-NZ 3.91Å; D428-K513 PolarHBondContact OD2-NZ 2.95Å; S467-K513 WeakPolarHBondContact OG-CA 3.4Å; S511-K513 PolarHBondContact O-N 3.27Å; K513-T555 PolarHBondContact N-O 3.45Å; K513-A556 HydrophobicContact CB-CB 3.74Å; K513-A556 HydrophobicContact CG-CB 3.85Å; K513-V557 WeakPolarHBondContact O-CG2 3.32Å
514	A	96	Very high	91.8	Very high	3 Å²	3	24 Å²	24	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	159.5	167.1	0	0	0	0	0	109.8	S467 L478 C480 L486 A524 A525	S467-A514 PolarHBondContact OG-N 3.28Å; L478-A514 HydrophobicContact CD2-CB 3.99Å; C480-A514 HydrophobicContact CB-CB 3.99Å; L486-A514 HydrophobicContact CD2-CB 3.57Å; A514-A524 WeakPolarHBondContact CA-O 3.47Å; A514-A524 WeakPolarHBondContact CB-O 3.29Å; A514-A525 HydrophobicContact CB-CB 3.78Å
515	V	95.9	Very high	92.3	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.018	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.6	-179.5	-62.8	0	0	0	0	112.3	D469 L478 A524 V557 F566	D469-V515 WeakPolarHBondContact OD2-CA 3.49Å; D469-V515 WeakPolarHBondContact OD2-CB 3.27Å; L478-V515 VanDerWaalsContact CD2-C 3.44Å; V515-A524 HydrophobicContact CG2-CB 4.23Å; V515-A524 PolarHBondContact N-O 3.18Å; V515-A524 PolarHBondContact O-N 3.42Å; V515-V557 HydrophobicContact CG1-CG2 4.46Å; V515-V557 VanDerWaalsContact CG1-O 3.28Å; V515-V557 WeakPolarHBondContact CG1-O 3.36Å; V515-V557 HydrophobicContact CG2-CG2 3.91Å; V515-F566 HydrophobicContact CG2-CE2 4.29Å
516	I	95.3	Very high	92.3	Very high	10 Å²	10	21.5 Å²	21.5	5%	0.051	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	147	166.4	-48.3	177.7	0	0	0	107.7	D469 L478 L488 L523	D469-I516 PolarHBondContact OD2-N 2.95Å; L478-I516 HydrophobicContact CB-CD1 3.69Å; L478-I516 HydrophobicContact CB-CG1 3.52Å; L478-I516 HydrophobicContact CD2-CG1 3.84Å; L478-I516 HydrophobicContact CG-CG1 4.28Å; L488-I516 HydrophobicContact CD1-CD1 4.04Å; I516-L523 HydrophobicContact CB-CD2 4.34Å; I516-L523 HydrophobicContact CG1-CD2 3.96Å; I516-L523 HydrophobicContact CG2-CD2 4.08Å
517	S	94.5	Very high	92.4	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.007	10%	0.1	C	C	.	.			trans	-64.4	153.4	167.8	62.3	0	0	0	0	111.3	D519 G520 C521 Y522	S517-D519 VanDerWaalsContact CB-OD1 3.28Å; S517-D519 WeakPolarHBondContact CB-OD1 3.31Å; S517-D519 PolarHBondContact O-N 3.1Å; S517-D519 VanDerWaalsContact O-N 3.11Å; S517-D519 PolarHBondContact OG-OD1 3.07Å; S517-G520 PolarHBondContact O-N 3.39Å; S517-C521 PolarHBondContact OG-N 3.49Å; S517-Y522 PolarHBondContact N-O 2.9Å; S517-Y522 PolarHBondContact OG-N 3.5Å; S517-Y522 PolarHBondContact OG-O 3.35Å
518	P	90.6	Very high	92.4	Very high	11 Å²	11	19 Å²	19	7%	0.071	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20	-174.7	-18.1	28.3	0	0	0	114.7	C279 S472 W559 S560 L561	C279-P518 HydrophobicContact CB-CB 3.65Å; C279-P518 HydrophobicContact CB-CG 4.4Å; S472-P518 WeakPolarHBondContact CB-O 3.35Å; P518-W559 HydrophobicContact CG-CB 4.44Å; P518-W559 HydrophobicContact CG-CG 4.39Å; P518-S560 WeakPolarHBondContact CG-O 3.47Å; P518-L561 HydrophobicContact CB-CD2 4.25Å; P518-L561 HydrophobicContact CG-CD2 4.28Å
519	D	88.7	Confident	92.8	Very high	40 Å²	40	21.4 Å²	21.4	21%	0.214	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.2	175.5	66.9	-14.3	0	0	0	113.9	A282 S517 C521	A282-D519 HydrophobicContact CB-CB 4.49Å; A282-D519 WeakPolarHBondContact CB-OD1 3.49Å; A282-D519 PolarHBondContact N-OD2 3.43Å; S517-D519 VanDerWaalsContact CB-OD1 3.28Å; S517-D519 WeakPolarHBondContact CB-OD1 3.31Å; S517-D519 PolarHBondContact O-N 3.1Å; S517-D519 VanDerWaalsContact O-N 3.11Å; S517-D519 PolarHBondContact OG-OD1 3.07Å; D519-C521 VanDerWaalsContact C-N 3.3Å; D519-C521 VanDerWaalsContact CG-SG 3.5Å; D519-C521 PolarHBondContact O-N 3.1Å; D519-C521 PolarHBondContact OD1-N 3.06Å; D519-C521 VanDerWaalsContact OD1-N 3.11Å; D519-C521 WeakPolarHBondContact OD2-CB 3.48Å; D519-C521 PolarHBondContact OD2-SG 3.36Å
520	G	90.6	Very high	92.9	Very high	15 Å²	15	20.9 Å²	20.9	16%	0.155	12%	0.123	C	C	.	.	S	Bend	trans	78.6	2.8	-176.9	0	0	0	0	0	115.6	S517 V537	S517-G520 PolarHBondContact O-N 3.39Å; G520-V537 WeakPolarHBondContact O-CG2 3.43Å
521	C	91.7	Very high	93.2	Very high	54 Å²	54	17.4 Å²	17.4	37%	0.365	10%	0.104	S	C	.	.	S	Bend	trans	-77.9	-26.1	-176.5	-65.7	0	0	0	0	114	S517 D519 V537	S517-C521 PolarHBondContact OG-N 3.49Å; D519-C521 VanDerWaalsContact C-N 3.3Å; D519-C521 VanDerWaalsContact CG-SG 3.5Å; D519-C521 PolarHBondContact O-N 3.1Å; D519-C521 PolarHBondContact OD1-N 3.06Å; D519-C521 VanDerWaalsContact OD1-N 3.11Å; D519-C521 WeakPolarHBondContact OD2-CB 3.48Å; D519-C521 PolarHBondContact OD2-SG 3.36Å; C521-V537 WeakPolarHBondContact O-CB 3.42Å; C521-V537 PolarHBondContact O-N 3.47Å
522	Y	94.6	Very high	93.6	Very high	34 Å²	34	15.2 Å²	15.2	13%	0.133	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.6	-170.1	-45.9	-79.9	0	0	0	112.5	A282 V284 S517 W535 E543 W559	A282-Y522 HydrophobicContact CB-CD2 4.21Å; A282-Y522 HydrophobicContact CB-CE2 4.28Å; A282-Y522 WeakPolarHBondContact O-CE2 3.5Å; V284-Y522 HydrophobicContact CG2-CD1 3.8Å; V284-Y522 HydrophobicContact CG2-CD2 4.48Å; V284-Y522 HydrophobicContact CG2-CE1 3.43Å; V284-Y522 VanDerWaalsContact CG2-CE1 3.43Å; V284-Y522 HydrophobicContact CG2-CE2 4.19Å; V284-Y522 HydrophobicContact CG2-CG 4.3Å; S517-Y522 PolarHBondContact N-O 2.9Å; S517-Y522 PolarHBondContact OG-N 3.5Å; S517-Y522 PolarHBondContact OG-O 3.35Å; Y522-W535 CarbonylContact C-O 3.58Å; Y522-W535 VanDerWaalsContact CA-O 3.26Å; Y522-W535 WeakPolarHBondContact CA-O 3.4Å; Y522-E543 VanDerWaalsContact CD1-OE2 3.29Å; Y522-E543 WeakPolarHBondContact CD1-OE2 3.46Å; Y522-E543 WeakPolarHBondContact CE1-OE2 3.39Å; Y522-W559 HydrophobicContact CD2-CH2 4.17Å; Y522-W559 HydrophobicContact CG-CH2 4.3Å
523	L	96.1	Very high	93.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.4	169.9	-50.7	178.9	0	0	0	108.8	L478 L486 L488 F500 I516 I534 W535 V537	L478-L523 HydrophobicContact CD1-CD1 3.97Å; L478-L523 HydrophobicContact CD1-CD2 4.11Å; L478-L523 HydrophobicContact CD2-CD2 4.31Å; L486-L523 HydrophobicContact CD1-CB 4.19Å; L488-L523 HydrophobicContact CD1-CD2 4.1Å; F500-L523 HydrophobicContact CD1-CD1 4.22Å; F500-L523 HydrophobicContact CD2-CD1 3.45Å; F500-L523 VanDerWaalsContact CD2-CD1 3.45Å; F500-L523 HydrophobicContact CE1-CD1 4.19Å; F500-L523 HydrophobicContact CE2-CD1 3.46Å; F500-L523 VanDerWaalsContact CE2-CD1 3.46Å; F500-L523 HydrophobicContact CG-CD1 3.87Å; F500-L523 HydrophobicContact CZ-CD1 3.84Å; I516-L523 HydrophobicContact CB-CD2 4.34Å; I516-L523 HydrophobicContact CG1-CD2 3.96Å; I516-L523 HydrophobicContact CG2-CD2 4.08Å; L523-I534 CarbonylContact O-C 3.55Å; L523-I534 VanDerWaalsContact O-CA 3.28Å; L523-I534 WeakPolarHBondContact O-CA 3.43Å; L523-W535 PolarHBondContact N-O 3.01Å; L523-W535 PolarHBondContact O-N 3.15Å; L523-V537 HydrophobicContact CD1-CG2 4.35Å; L523-V537 HydrophobicContact CD2-CG2 3.76Å; L523-V537 HydrophobicContact CG-CG2 3.69Å
524	A	95.8	Very high	93.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.3	177.7	0	0	0	0	0	112	A514 V515 Y533 I534 W559 F566	A514-A524 WeakPolarHBondContact CA-O 3.47Å; A514-A524 WeakPolarHBondContact CB-O 3.29Å; V515-A524 HydrophobicContact CG2-CB 4.23Å; V515-A524 PolarHBondContact N-O 3.18Å; V515-A524 PolarHBondContact O-N 3.42Å; A524-Y533 WeakPolarHBondContact CA-O 3.47Å; A524-I534 HydrophobicContact CB-CG1 4.16Å; A524-W559 HydrophobicContact CB-CE3 4.26Å; A524-W559 HydrophobicContact CB-CZ3 4.04Å; A524-F566 HydrophobicContact CB-CE2 3.54Å; A524-F566 HydrophobicContact CB-CZ 3.76Å
525	A	95.8	Very high	93.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.8	175.2	0	0	0	0	0	112.3	L486 F505 A514 Y533 W535	L486-A525 HydrophobicContact CD1-CB 4.06Å; L486-A525 HydrophobicContact CD2-CB 4.15Å; F505-A525 HydrophobicContact CE2-CB 3.65Å; F505-A525 HydrophobicContact CZ-CB 3.8Å; A514-A525 HydrophobicContact CB-CB 3.78Å; A525-Y533 PolarHBondContact N-O 2.98Å; A525-Y533 PolarHBondContact O-N 2.85Å; A525-W535 HydrophobicContact CB-CH2 4.34Å; A525-W535 HydrophobicContact CB-CZ3 3.95Å
526	G	94.3	Very high	93.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	143.1	173.3	0	0	0	0	0	112.8	T512	T512-G526 WeakPolarHBondContact CG2-O 3.26Å
527	S	94.6	Very high	93.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.09	C	C	.	.			trans	-113.5	175.3	-172.5	175.2	0	0	0	0	113.4	K506 D529 A531 S553 I554	K506-S527 PolarHBondContact N-OG 3.35Å; K506-S527 VanDerWaalsContact N-OG 3.13Å; K506-S527 CarbonylContact O-C 3.58Å; K506-S527 WeakPolarHBondContact O-CA 3.28Å; K506-S527 PolarHBondContact O-OG 3.49Å; S527-D529 WeakPolarHBondContact CB-OD1 3.34Å; S527-D529 PolarHBondContact OG-OD1 3.47Å; S527-A531 WeakPolarHBondContact CB-O 3.28Å; S527-A531 PolarHBondContact N-O 3.2Å; S527-S553 WeakPolarHBondContact O-CA 3.48Å; S527-S553 PolarHBondContact O-OG 3.05Å; S527-I554 PolarHBondContact O-N 2.84Å
528	T	92.9	Very high	93.3	Very high	62 Å²	62	20.3 Å²	20.3	38%	0.38	13%	0.125	S	C	.	.	S	Bend	trans	-71.7	-28.4	177	51.1	0	0	0	0	114.3	K506 C507 G530	K506-T528 HydrophobicContact CB-CG2 4.15Å; K506-T528 PolarHBondContact O-N 2.86Å; C507-T528 WeakPolarHBondContact O-CG2 3.33Å; T528-G530 VanDerWaalsContact C-N 3.32Å
529	D	90.8	Very high	93.3	Very high	59 Å²	59	24.8 Å²	24.8	32%	0.316	15%	0.153	S	C	.	.	S	Bend	trans	-76.4	-16.8	-175.6	58.3	-19.9	0	0	0	113.7	S527 A531 R545	S527-D529 WeakPolarHBondContact CB-OD1 3.34Å; S527-D529 PolarHBondContact OG-OD1 3.47Å; D529-A531 PolarHBondContact OD1-N 2.8Å; D529-R545 IonicContact OD2-CZ 3.56Å; D529-R545 IonicContact OD2-NE 3.16Å; D529-R545 PolarHBondContact OD2-NE 3.26Å; D529-R545 IonicContact OD2-NH2 3.43Å; D529-R545 PolarHBondContact OD2-NH2 2.84Å
530	G	90.4	Very high	93.2	Very high	1 Å²	1	25 Å²	25	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	102.5	-1.1	-176.8	0	0	0	0	0	113.9	T528	T528-G530 VanDerWaalsContact C-N 3.32Å
531	A	93.5	Very high	93.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-88.4	152.6	173.3	0	0	0	0	0	112.9	S527 D529 Y533 R545 L546 D548 I554	S527-A531 WeakPolarHBondContact CB-O 3.28Å; S527-A531 PolarHBondContact N-O 3.2Å; D529-A531 PolarHBondContact OD1-N 2.8Å; A531-Y533 HydrophobicContact CB-CD2 4.23Å; A531-Y533 HydrophobicContact CB-CE2 3.9Å; A531-R545 HydrophobicContact CB-CG 3.77Å; A531-L546 WeakPolarHBondContact CB-O 3.5Å; A531-D548 WeakPolarHBondContact CB-OD1 3.26Å; A531-D548 PolarHBondContact N-OD1 3.33Å; A531-I554 VanDerWaalsContact O-CD1 3.32Å; A531-I554 WeakPolarHBondContact O-CD1 3.26Å
532	V	95	Very high	93.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.3	162.3	179.3	0	0	0	0	107.9	I534 R545 L546 I554 V557 F566	V532-I534 HydrophobicContact CG1-CG1 4.11Å; V532-R545 CarbonylContact O-C 3.52Å; V532-R545 WeakPolarHBondContact O-CA 3.38Å; V532-L546 HydrophobicContact CB-CB 4.07Å; V532-L546 HydrophobicContact CB-CD1 3.81Å; V532-L546 HydrophobicContact CB-CG 3.89Å; V532-L546 HydrophobicContact CG1-CD1 4.11Å; V532-L546 HydrophobicContact CG1-CG 4.37Å; V532-L546 HydrophobicContact CG2-CD1 4.28Å; V532-L546 PolarHBondContact O-N 3.43Å; V532-I554 HydrophobicContact CG2-CD1 3.51Å; V532-V557 HydrophobicContact CG1-CG1 4.47Å; V532-V557 HydrophobicContact CG2-CG1 4.35Å; V532-F566 HydrophobicContact CB-CE1 4.46Å; V532-F566 HydrophobicContact CG1-CE1 3.72Å; V532-F566 HydrophobicContact CG1-CZ 3.7Å; V532-F566 HydrophobicContact CG2-CE1 4.14Å
533	Y	95.5	Very high	93.1	Very high	6 Å²	6	29.3 Å²	29.3	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.8	173.9	-76.2	-110.1	0	0	0	109.1	A502 D503 G504 F505 A524 A525 A531 W535 L542 R545	A502-Y533 HydrophobicContact CB-CD1 3.66Å; A502-Y533 HydrophobicContact CB-CE1 3.83Å; D503-Y533 WeakPolarHBondContact O-CE1 3.46Å; D503-Y533 PolarHBondContact O-OH 2.64Å; G504-Y533 VanDerWaalsContact C-OH 3.26Å; G504-Y533 WeakPolarHBondContact CA-OH 3.11Å; F505-Y533 HydrophobicContact CB-CD1 3.92Å; F505-Y533 HydrophobicContact CB-CD2 4.2Å; F505-Y533 HydrophobicContact CB-CE1 3.93Å; F505-Y533 HydrophobicContact CB-CE2 4.2Å; F505-Y533 HydrophobicContact CB-CG 4.06Å; F505-Y533 AromaticContact CD2-CD2 3.87Å; F505-Y533 HydrophobicContact CD2-CD2 3.87Å; F505-Y533 HydrophobicContact CD2-CE2 4.48Å; F505-Y533 AromaticContact CD2-CG 3.96Å; F505-Y533 HydrophobicContact CD2-CG 3.96Å; F505-Y533 HydrophobicContact CG-CG 4.42Å; F505-Y533 PolarHBondContact N-OH 2.99Å; A524-Y533 WeakPolarHBondContact CA-O 3.47Å; A525-Y533 PolarHBondContact N-O 2.98Å; A525-Y533 PolarHBondContact O-N 2.85Å; A531-Y533 HydrophobicContact CB-CD2 4.23Å; A531-Y533 HydrophobicContact CB-CE2 3.9Å; Y533-W535 VanDerWaalsContact CB-CZ3 3.47Å; Y533-W535 HydrophobicContact CD1-CZ2 4.45Å; Y533-W535 HydrophobicContact CG-CH2 4.23Å; Y533-W535 VanDerWaalsContact O-CZ3 3.28Å; Y533-W535 WeakPolarHBondContact O-CZ3 3.28Å; Y533-L542 HydrophobicContact CD1-CD1 3.66Å; Y533-L542 HydrophobicContact CD1-CD2 3.88Å; Y533-L542 HydrophobicContact CD1-CG 4.46Å; Y533-L542 HydrophobicContact CE1-CD2 4.13Å; Y533-L542 HydrophobicContact CG-CD1 4.32Å; Y533-R545 HydrophobicContact CD2-CG 4.44Å; Y533-R545 HydrophobicContact CE1-CG 4.31Å; Y533-R545 HydrophobicContact CE2-CG 4.12Å; Y533-R545 PolarHBondContact OH-NE 2.69Å
534	I	96	Very high	92.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.9	179.7	-54.5	-176.3	0	0	0	109.5	V284 P285 L523 A524 V532 L542 E543 A544 L546 W559	V284-I534 HydrophobicContact CG1-CD1 4.24Å; V284-I534 HydrophobicContact CG1-CG2 4.4Å; P285-I534 HydrophobicContact CG-CD1 3.6Å; L523-I534 CarbonylContact O-C 3.55Å; L523-I534 VanDerWaalsContact O-CA 3.28Å; L523-I534 WeakPolarHBondContact O-CA 3.43Å; A524-I534 HydrophobicContact CB-CG1 4.16Å; V532-I534 HydrophobicContact CG1-CG1 4.11Å; I534-L542 WeakPolarHBondContact O-CD1 3.49Å; I534-E543 PolarHBondContact O-N 3.37Å; I534-A544 HydrophobicContact CB-CB 4.35Å; I534-A544 PolarHBondContact N-O 2.92Å; I534-A544 PolarHBondContact O-N 2.93Å; I534-A544 VanDerWaalsContact O-N 3.11Å; I534-L546 HydrophobicContact CD1-CD1 4.32Å; I534-L546 HydrophobicContact CD1-CD2 4.26Å; I534-L546 HydrophobicContact CD1-CG 4.36Å; I534-W559 HydrophobicContact CG2-CH2 4.49Å
535	W	96.1	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.3	-179.6	-63.6	-102	0	0	0	111.3	L486 F500 R501 A502 F505 Y522 L523 A525 Y533 G541 L542	L486-W535 HydrophobicContact CD1-CD2 4.23Å; L486-W535 HydrophobicContact CD1-CE3 3.56Å; L486-W535 HydrophobicContact CD1-CH2 3.81Å; L486-W535 HydrophobicContact CD1-CZ2 4.46Å; L486-W535 HydrophobicContact CD1-CZ3 3.34Å; L486-W535 HydrophobicContact CG-CZ3 4.46Å; F500-W535 HydrophobicContact CB-CD2 4.46Å; F500-W535 HydrophobicContact CB-CG 4.1Å; F500-W535 HydrophobicContact CD1-CB 3.89Å; F500-W535 HydrophobicContact CD1-CG 4.22Å; R501-W535 PolarHBondContact O-NE1 3.12Å; A502-W535 HydrophobicContact CB-CZ2 3.72Å; F505-W535 HydrophobicContact CB-CH2 4.43Å; F505-W535 HydrophobicContact CB-CZ2 4.3Å; F505-W535 HydrophobicContact CD1-CH2 4.07Å; F505-W535 HydrophobicContact CD1-CZ2 4.2Å; F505-W535 AromaticContact CD2-CH2 3.66Å; F505-W535 HydrophobicContact CD2-CH2 3.66Å; F505-W535 HydrophobicContact CD2-CZ2 4.34Å; F505-W535 HydrophobicContact CE1-CH2 4.25Å; F505-W535 AromaticContact CE2-CH2 3.89Å; F505-W535 HydrophobicContact CE2-CH2 3.89Å; F505-W535 AromaticContact CG-CH2 3.77Å; F505-W535 HydrophobicContact CG-CH2 3.77Å; F505-W535 HydrophobicContact CG-CZ2 4Å; F505-W535 HydrophobicContact CZ-CH2 4.18Å; Y522-W535 CarbonylContact C-O 3.58Å; Y522-W535 VanDerWaalsContact CA-O 3.26Å; Y522-W535 WeakPolarHBondContact CA-O 3.4Å; L523-W535 PolarHBondContact N-O 3.01Å; L523-W535 PolarHBondContact O-N 3.15Å; A525-W535 HydrophobicContact CB-CH2 4.34Å; A525-W535 HydrophobicContact CB-CZ3 3.95Å; Y533-W535 VanDerWaalsContact CB-CZ3 3.47Å; Y533-W535 HydrophobicContact CD1-CZ2 4.45Å; Y533-W535 HydrophobicContact CG-CH2 4.23Å; Y533-W535 VanDerWaalsContact O-CZ3 3.28Å; Y533-W535 WeakPolarHBondContact O-CZ3 3.28Å; W535-G541 VanDerWaalsContact CA-O 3.31Å; W535-G541 WeakPolarHBondContact CA-O 3.31Å; W535-G541 WeakPolarHBondContact CB-O 3.47Å; W535-L542 HydrophobicContact CD2-CD1 3.97Å; W535-L542 HydrophobicContact CG-CD1 4.16Å; W535-L542 HydrophobicContact CZ2-CD1 4.39Å
536	N	94.5	Very high	92.5	Very high	20 Å²	20	35.6 Å²	35.6	11%	0.107	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.3	173.7	-162.8	-74.1	0	0	0	110.7	S538 T539 G540 G541 E543	N536-S538 VanDerWaalsContact C-N 3.28Å; N536-S538 PolarHBondContact O-N 3.29Å; N536-S538 WeakPolarHBondContact OD1-CB 3.48Å; N536-S538 PolarHBondContact OD1-N 2.95Å; N536-S538 PolarHBondContact OD1-OG 3.49Å; N536-T539 HydrophobicContact CB-CG2 4.4Å; N536-T539 WeakPolarHBondContact CB-OG1 3.36Å; N536-T539 PolarHBondContact OD1-N 3.28Å; N536-G540 PolarHBondContact O-N 3.38Å; N536-G541 PolarHBondContact N-O 3.36Å; N536-E543 HydrophobicContact CB-CB 4.48Å; N536-E543 VanDerWaalsContact CB-OE2 3.23Å; N536-E543 WeakPolarHBondContact CB-OE2 3.39Å; N536-E543 PolarHBondContact ND2-OE2 2.87Å
537	V	92.3	Very high	91.9	Very high	18 Å²	18	38.3 Å²	38.3	11%	0.109	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.2	-180	174.7	0	0	0	0	111.8	L488 G520 C521 L523	L488-V537 HydrophobicContact CD2-CG1 3.58Å; L488-V537 HydrophobicContact CD2-CG2 4.1Å; G520-V537 WeakPolarHBondContact O-CG2 3.43Å; C521-V537 WeakPolarHBondContact O-CB 3.42Å; C521-V537 PolarHBondContact O-N 3.47Å; L523-V537 HydrophobicContact CD1-CG2 4.35Å; L523-V537 HydrophobicContact CD2-CG2 3.76Å; L523-V537 HydrophobicContact CG-CG2 3.69Å
538	S	90.5	Very high	91.1	Very high	107 Å²	107	42 Å²	42	75%	0.748	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-27.2	-175.9	76.3	0	0	0	0	114.3	N536	N536-S538 VanDerWaalsContact C-N 3.28Å; N536-S538 PolarHBondContact O-N 3.29Å; N536-S538 WeakPolarHBondContact OD1-CB 3.48Å; N536-S538 PolarHBondContact OD1-N 2.95Å; N536-S538 PolarHBondContact OD1-OG 3.49Å
539	T	88.9	Confident	90.8	Very high	105 Å²	105	42.4 Å²	42.4	64%	0.644	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-17.4	179.8	75.3	0	0	0	0	113.6	N536 G541	N536-T539 HydrophobicContact CB-CG2 4.4Å; N536-T539 WeakPolarHBondContact CB-OG1 3.36Å; N536-T539 PolarHBondContact OD1-N 3.28Å; T539-G541 PolarHBondContact O-N 2.81Å; T539-G541 PolarHBondContact OG1-N 3.49Å
540	G	87.5	Confident	90.8	Very high	43 Å²	43	40.1 Å²	40.1	44%	0.443	24%	0.237	S	C	.	.			trans	75.5	-7.9	-171.7	0	0	0	0	0	114.5	N536	N536-G540 PolarHBondContact O-N 3.38Å
541	G	90.4	Very high	90.6	Very high	29 Å²	29	43.8 Å²	43.8	30%	0.299	26%	0.262	S	S	.	.	S	Bend	trans	-87.8	160.8	-173.5	0	0	0	0	0	114.3	W535 N536 T539	W535-G541 VanDerWaalsContact CA-O 3.31Å; W535-G541 WeakPolarHBondContact CA-O 3.31Å; W535-G541 WeakPolarHBondContact CB-O 3.47Å; N536-G541 PolarHBondContact N-O 3.36Å; T539-G541 PolarHBondContact O-N 2.81Å; T539-G541 PolarHBondContact OG1-N 3.49Å
542	L	92.8	Very high	90.5	Very high	74 Å²	74	45.4 Å²	45.4	39%	0.387	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133.1	161.7	-172.9	73.3	0	0	0	109.1	A502 Y533 I534 W535	A502-L542 HydrophobicContact CB-CB 4.45Å; A502-L542 HydrophobicContact CB-CD1 4.07Å; A502-L542 HydrophobicContact CB-CD2 4.09Å; A502-L542 HydrophobicContact CB-CG 4.44Å; Y533-L542 HydrophobicContact CD1-CD1 3.66Å; Y533-L542 HydrophobicContact CD1-CD2 3.88Å; Y533-L542 HydrophobicContact CD1-CG 4.46Å; Y533-L542 HydrophobicContact CE1-CD2 4.13Å; Y533-L542 HydrophobicContact CG-CD1 4.32Å; I534-L542 WeakPolarHBondContact O-CD1 3.49Å; W535-L542 HydrophobicContact CD2-CD1 3.97Å; W535-L542 HydrophobicContact CG-CD1 4.16Å; W535-L542 HydrophobicContact CZ2-CD1 4.39Å
543	E	91.8	Very high	90.4	Very high	92 Å²	92	46 Å²	46	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-38.9	-178.2	-176.3	166.8	-179.1	0	0	112	Y522 I534 N536	Y522-E543 VanDerWaalsContact CD1-OE2 3.29Å; Y522-E543 WeakPolarHBondContact CD1-OE2 3.46Å; Y522-E543 WeakPolarHBondContact CE1-OE2 3.39Å; I534-E543 PolarHBondContact O-N 3.37Å; N536-E543 HydrophobicContact CB-CB 4.48Å; N536-E543 VanDerWaalsContact CB-OE2 3.23Å; N536-E543 WeakPolarHBondContact CB-OE2 3.39Å; N536-E543 PolarHBondContact ND2-OE2 2.87Å
544	A	91.3	Very high	90.4	Very high	22 Å²	22	45.7 Å²	45.7	18%	0.182	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.6	174.6	0	0	0	0	0	112.6	V284 I534 L546	V284-A544 HydrophobicContact CG1-CB 3.89Å; I534-A544 HydrophobicContact CB-CB 4.35Å; I534-A544 PolarHBondContact N-O 2.92Å; I534-A544 PolarHBondContact O-N 2.93Å; I534-A544 VanDerWaalsContact O-N 3.11Å; A544-L546 HydrophobicContact CB-CD2 4.3Å
545	R	93.3	Very high	90.4	Very high	105 Å²	105	45.8 Å²	45.8	40%	0.396	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.5	159.8	-178.6	-176.1	179.2	-82.3	-0.9	106.6	D529 A531 V532 Y533 D548	D529-R545 IonicContact OD2-CZ 3.56Å; D529-R545 IonicContact OD2-NE 3.16Å; D529-R545 PolarHBondContact OD2-NE 3.26Å; D529-R545 IonicContact OD2-NH2 3.43Å; D529-R545 PolarHBondContact OD2-NH2 2.84Å; A531-R545 HydrophobicContact CB-CG 3.77Å; V532-R545 CarbonylContact O-C 3.52Å; V532-R545 WeakPolarHBondContact O-CA 3.38Å; Y533-R545 HydrophobicContact CD2-CG 4.44Å; Y533-R545 HydrophobicContact CE1-CG 4.31Å; Y533-R545 HydrophobicContact CE2-CG 4.12Å; Y533-R545 PolarHBondContact OH-NE 2.69Å; R545-D548 IonicContact CZ-OD1 2.85Å; R545-D548 IonicContact CZ-OD2 2.82Å; R545-D548 IonicContact NH1-OD1 3.75Å; R545-D548 IonicContact NH1-OD2 3.89Å; R545-D548 PolarHBondContact NH1-OD2 3.37Å; R545-D548 IonicContact NH2-OD1 3.23Å; R545-D548 PolarHBondContact NH2-OD1 3.35Å; R545-D548 IonicContact NH2-OD2 3.85Å; R545-D548 PolarHBondContact NH2-OD2 3.11Å; R545-D548 VanDerWaalsContact NH2-OD2 3.14Å
546	L	90.6	Very high	90.3	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	28%	0.277	C	S	.	.			trans	-69.4	146.8	179.3	-51.8	-168.8	0	0	0	109.9	P285 A531 V532 I534 A544 F566 W578	P285-L546 HydrophobicContact CB-CD1 4.44Å; P285-L546 HydrophobicContact CG-CD1 3.99Å; P285-L546 HydrophobicContact CG-CD2 4.49Å; P285-L546 WeakPolarHBondContact O-CD2 3.14Å; A531-L546 WeakPolarHBondContact CB-O 3.5Å; V532-L546 HydrophobicContact CB-CB 4.07Å; V532-L546 HydrophobicContact CB-CD1 3.81Å; V532-L546 HydrophobicContact CB-CG 3.89Å; V532-L546 HydrophobicContact CG1-CD1 4.11Å; V532-L546 HydrophobicContact CG1-CG 4.37Å; V532-L546 HydrophobicContact CG2-CD1 4.28Å; V532-L546 PolarHBondContact O-N 3.43Å; I534-L546 HydrophobicContact CD1-CD1 4.32Å; I534-L546 HydrophobicContact CD1-CD2 4.26Å; I534-L546 HydrophobicContact CD1-CG 4.36Å; A544-L546 HydrophobicContact CB-CD2 4.3Å; L546-F566 HydrophobicContact CD1-CE1 4.47Å; L546-W578 HydrophobicContact CB-CE3 4.31Å; L546-W578 HydrophobicContact CB-CH2 3.88Å; L546-W578 HydrophobicContact CB-CZ2 4.32Å; L546-W578 HydrophobicContact CB-CZ3 3.87Å; L546-W578 HydrophobicContact CD1-CD2 3.68Å; L546-W578 HydrophobicContact CD1-CE3 3.77Å; L546-W578 HydrophobicContact CD1-CG 4.09Å; L546-W578 HydrophobicContact CD1-CH2 4.48Å; L546-W578 HydrophobicContact CD1-CZ2 4.38Å; L546-W578 HydrophobicContact CD1-CZ3 4.2Å
547	P	81.3	Confident	90.4	Very high	58 Å²	58	45 Å²	45	38%	0.377	27%	0.273	S	S	.	.			trans	-63.3	151.8	-175.9	25.2	-35.6	0	0	0	113	Q549 W578	P547-Q549 PolarHBondContact O-N 2.97Å; P547-W578 HydrophobicContact CG-CH2 4.1Å; P547-W578 HydrophobicContact CG-CZ3 3.88Å; P547-W578 WeakPolarHBondContact O-CH2 3.25Å
548	D	78.6	Confident	90.6	Very high	78 Å²	78	44.1 Å²	44.1	42%	0.417	27%	0.268	S	S	.	.			trans	-72.7	82.1	-174.1	-55.5	-79.1	0	0	0	112.3	A531 R545	A531-D548 WeakPolarHBondContact CB-OD1 3.26Å; A531-D548 PolarHBondContact N-OD1 3.33Å; R545-D548 IonicContact CZ-OD1 2.85Å; R545-D548 IonicContact CZ-OD2 2.82Å; R545-D548 IonicContact NH1-OD1 3.75Å; R545-D548 IonicContact NH1-OD2 3.89Å; R545-D548 PolarHBondContact NH1-OD2 3.37Å; R545-D548 IonicContact NH2-OD1 3.23Å; R545-D548 PolarHBondContact NH2-OD1 3.35Å; R545-D548 IonicContact NH2-OD2 3.85Å; R545-D548 PolarHBondContact NH2-OD2 3.11Å; R545-D548 VanDerWaalsContact NH2-OD2 3.14Å
549	Q	85.9	Confident	90.8	Very high	69 Å²	69	39.4 Å²	39.4	32%	0.322	23%	0.233	S	C	.	.			trans	-90.5	-19.2	176.7	-64.5	-61.8	-46.4	0	0	113.3	P288 P547 R574 V576 W578	P288-Q549 HydrophobicContact CB-CG 4.21Å; P288-Q549 HydrophobicContact CG-CG 4.06Å; P547-Q549 PolarHBondContact O-N 2.97Å; Q549-R574 PolarHBondContact O-NH1 2.98Å; Q549-V576 HydrophobicContact CB-CG2 4.15Å; Q549-W578 HydrophobicContact CB-CH2 4.18Å; Q549-W578 HydrophobicContact CB-CZ2 4.27Å; Q549-W578 HydrophobicContact CG-CH2 3.6Å; Q549-W578 HydrophobicContact CG-CZ2 4.17Å; Q549-W578 HydrophobicContact CG-CZ3 4.39Å
550	H	90.2	Very high	91	Very high	11 Å²	11	34.4 Å²	34.4	5%	0.051	20%	0.203	C	C	.	.			trans	-87	135.4	179	-70.9	-74.3	0	0	0	111.1	S552 I554 S568 D570	H550-S552 VanDerWaalsContact C-N 3.29Å; H550-S552 WeakPolarHBondContact CB-O 3.44Å; H550-I554 HydrophobicContact CB-CG1 4.25Å; H550-I554 VanDerWaalsContact CD2-CD1 3.45Å; H550-I554 WeakPolarHBondContact CD2-CD1 3.4Å; H550-S568 PolarHBondContact CE1-O 2.97Å; H550-S568 WeakPolarHBondContact NE2-CB 3.46Å; H550-S568 PolarHBondContact NE2-OG 2.92Å; H550-D570 HydrophobicContact CB-CB 4.18Å; H550-D570 WeakPolarHBondContact CB-OD2 3.37Å; H550-D570 IonicContact CE1-OD2 3.48Å; H550-D570 IonicContact CG-OD2 2.69Å; H550-D570 WeakPolarHBondContact ND1-CB 3.46Å; H550-D570 VanDerWaalsContact ND1-CG 3.29Å; H550-D570 IonicContact ND1-OD2 3.39Å; H550-D570 PolarHBondContact ND1-OD2 2.71Å
551	S	86.9	Confident	91	Very high	79 Å²	79	34.3 Å²	34.3	55%	0.552	19%	0.192	S	C	*	.	S	Bend	trans	-88.7	4.1	177.9	44.9	0	0	0	0	113.2	S572	S551-S572 PolarHBondContact OG-OG 3.43Å
552	S	91.3	Very high	90.8	Very high	33 Å²	33	35.1 Å²	35.1	23%	0.231	19%	0.193	C	C	.	.	S	Bend	trans	-156	178.3	170.5	71.4	0	0	0	0	111	H550 I554 R571 S572	H550-S552 VanDerWaalsContact C-N 3.29Å; H550-S552 WeakPolarHBondContact CB-O 3.44Å; S552-I554 PolarHBondContact O-N 3.16Å; S552-R571 PolarHBondContact OG-N 3.37Å; S552-S572 WeakPolarHBondContact CB-OG 3.23Å; S552-S572 PolarHBondContact N-OG 3.28Å; S552-S572 WeakPolarHBondContact OG-CB 3.44Å; S552-S572 PolarHBondContact OG-N 2.83Å; S552-S572 PolarHBondContact OG-OG 2.98Å
553	S	93.4	Very high	90.5	Very high	13 Å²	13	31.7 Å²	31.7	9%	0.091	18%	0.175	C	C	.	.			trans	-54.8	131.5	177.3	179.7	0	0	0	0	113.3	G508 S527 R571	G508-S553 WeakPolarHBondContact CA-OG 3.41Å; S527-S553 WeakPolarHBondContact O-CA 3.48Å; S527-S553 PolarHBondContact O-OG 3.05Å; S553-R571 PolarHBondContact O-N 2.86Å
554	I	95.3	Very high	90.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.2	174	-53.2	-175.8	0	0	0	109.2	S527 A531 V532 H550 S552 A556 V557 V569	S527-I554 PolarHBondContact O-N 2.84Å; A531-I554 VanDerWaalsContact O-CD1 3.32Å; A531-I554 WeakPolarHBondContact O-CD1 3.26Å; V532-I554 HydrophobicContact CG2-CD1 3.51Å; H550-I554 HydrophobicContact CB-CG1 4.25Å; H550-I554 VanDerWaalsContact CD2-CD1 3.45Å; H550-I554 WeakPolarHBondContact CD2-CD1 3.4Å; S552-I554 PolarHBondContact O-N 3.16Å; I554-A556 WeakPolarHBondContact CG2-O 3.41Å; I554-V557 HydrophobicContact CG2-CG1 4.13Å; I554-V569 CarbonylContact C-O 3.57Å; I554-V569 WeakPolarHBondContact CA-O 3.49Å; I554-V569 WeakPolarHBondContact CG2-O 3.43Å
555	T	94.9	Very high	90.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-38.1	-179.8	52.2	0	0	0	0	112.3	I299 T512 K513 V569 R571	I299-T555 VanDerWaalsContact O-CB 3.3Å; I299-T555 WeakPolarHBondContact O-CB 3.26Å; I299-T555 VanDerWaalsContact O-CG2 3.26Å; I299-T555 WeakPolarHBondContact O-CG2 3.43Å; I299-T555 PolarHBondContact O-OG1 2.97Å; T512-T555 CarbonylContact C-O 3.4Å; T512-T555 VanDerWaalsContact CA-O 3.3Å; T512-T555 WeakPolarHBondContact CA-O 3.49Å; K513-T555 PolarHBondContact N-O 3.45Å; T555-V569 PolarHBondContact N-O 3.41Å; T555-V569 PolarHBondContact OG1-O 2.85Å; T555-R571 HydrophobicContact CG2-CG 3.34Å
556	A	95.7	Very high	90.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	156.7	-178.9	0	0	0	0	0	111.9	V302 K513 I554 V569	V302-A556 HydrophobicContact CG1-CB 3.93Å; K513-A556 HydrophobicContact CB-CB 3.74Å; K513-A556 HydrophobicContact CG-CB 3.85Å; I554-A556 WeakPolarHBondContact CG2-O 3.41Å; A556-V569 HydrophobicContact CB-CG2 3.8Å; A556-V569 PolarHBondContact N-O 3.38Å; A556-V569 WeakPolarHBondContact O-CG2 3.43Å; A556-V569 PolarHBondContact O-N 3.12Å
557	V	96.6	Very high	90.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.2	171.4	-69.6	0	0	0	0	109.7	K513 V515 V532 I554 F566 V567	K513-V557 WeakPolarHBondContact O-CG2 3.32Å; V515-V557 HydrophobicContact CG1-CG2 4.46Å; V515-V557 VanDerWaalsContact CG1-O 3.28Å; V515-V557 WeakPolarHBondContact CG1-O 3.36Å; V515-V557 HydrophobicContact CG2-CG2 3.91Å; V532-V557 HydrophobicContact CG1-CG1 4.47Å; V532-V557 HydrophobicContact CG2-CG1 4.35Å; I554-V557 HydrophobicContact CG2-CG1 4.13Å; V557-F566 HydrophobicContact CB-CE1 4.35Å; V557-F566 HydrophobicContact CB-CE2 4.06Å; V557-F566 HydrophobicContact CB-CZ 3.54Å; V557-F566 HydrophobicContact CG1-CE1 4.14Å; V557-F566 HydrophobicContact CG1-CZ 3.66Å; V557-F566 HydrophobicContact CG2-CZ 4.26Å; V557-V567 CarbonylContact C-O 3.6Å; V557-V567 VanDerWaalsContact CA-O 3.26Å; V557-V567 WeakPolarHBondContact CA-O 3.34Å
558	S	95.7	Very high	91.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	136.3	171.6	-170.6	0	0	0	0	111	R303 F304 V567	R303-S558 WeakPolarHBondContact CA-OG 3.35Å; F304-S558 WeakPolarHBondContact CE2-O 3.45Å; F304-S558 PolarHBondContact N-OG 3.43Å; F304-S558 VanDerWaalsContact N-OG 3.17Å; S558-V567 PolarHBondContact N-O 3.29Å; S558-V567 PolarHBondContact O-N 3.48Å
559	W	94.6	Very high	92.2	Very high	8 Å²	8	20.2 Å²	20.2	3%	0.03	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	140.1	170.5	-139.3	-59	0	0	0	109.4	A282 R283 F304 P518 Y522 A524 I534 G563 F566	A282-W559 HydrophobicContact CB-CZ2 3.98Å; R283-W559 WeakPolarHBondContact O-CZ2 3.29Å; F304-W559 VanDerWaalsContact CD2-C 3.42Å; P518-W559 HydrophobicContact CG-CB 4.44Å; P518-W559 HydrophobicContact CG-CG 4.39Å; Y522-W559 HydrophobicContact CD2-CH2 4.17Å; Y522-W559 HydrophobicContact CG-CH2 4.3Å; A524-W559 HydrophobicContact CB-CE3 4.26Å; A524-W559 HydrophobicContact CB-CZ3 4.04Å; I534-W559 HydrophobicContact CG2-CH2 4.49Å; W559-G563 PolarHBondContact NE1-O 2.99Å; W559-F566 HydrophobicContact CB-CD2 4.21Å; W559-F566 AromaticContact CD2-CD2 3.75Å; W559-F566 HydrophobicContact CD2-CD2 3.75Å; W559-F566 HydrophobicContact CD2-CE2 4.43Å; W559-F566 AromaticContact CE3-CD2 3.68Å; W559-F566 HydrophobicContact CE3-CD2 3.68Å; W559-F566 AromaticContact CE3-CE2 3.92Å; W559-F566 HydrophobicContact CE3-CE2 3.92Å; W559-F566 AromaticContact CG-CD2 3.99Å; W559-F566 HydrophobicContact CG-CD2 3.99Å; W559-F566 HydrophobicContact CZ3-CD2 4.34Å; W559-F566 HydrophobicContact CZ3-CE2 4.46Å
560	S	92.3	Very high	92.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.			trans	-65.5	146.4	166.3	57.6	0	0	0	0	110.7	F304 P518 S562 G563 E564 H565	F304-S560 VanDerWaalsContact CD2-N 3.31Å; P518-S560 WeakPolarHBondContact CG-O 3.47Å; S560-S562 PolarHBondContact O-N 2.84Å; S560-G563 PolarHBondContact O-N 3.01Å; S560-G563 PolarHBondContact OG-N 3.11Å; S560-E564 PolarHBondContact OG-N 3.06Å; S560-H565 VanDerWaalsContact CB-O 3.27Å; S560-H565 WeakPolarHBondContact CB-O 3.43Å; S560-H565 PolarHBondContact N-O 3.4Å; S560-H565 WeakPolarHBondContact OG-CA 3.5Å; S560-H565 PolarHBondContact OG-N 3.06Å; S560-H565 PolarHBondContact OG-O 2.82Å
561	L	88.1	Confident	92.7	Very high	42 Å²	42	21.7 Å²	21.7	22%	0.22	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.9	177.2	-62.9	-165.3	0	0	0	113.5	C279 F306 S308 P518 G563	C279-L561 WeakPolarHBondContact CB-O 3.35Å; F306-L561 HydrophobicContact CB-CD1 4.28Å; F306-L561 HydrophobicContact CD1-CD1 3.59Å; F306-L561 HydrophobicContact CE1-CD1 4.2Å; F306-L561 HydrophobicContact CG-CD1 4.13Å; S308-L561 PolarHBondContact OG-N 3.33Å; P518-L561 HydrophobicContact CB-CD2 4.25Å; P518-L561 HydrophobicContact CG-CD2 4.28Å; L561-G563 VanDerWaalsContact C-N 3.29Å
562	S	86.3	Confident	92.9	Very high	46 Å²	46	19.2 Å²	19.2	32%	0.322	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-24.4	167	72.2	0	0	0	0	112.6	C279 S308 S560 E564	C279-S562 PolarHBondContact SG-O 2.72Å; S308-S562 PolarHBondContact OG-N 3.27Å; S560-S562 PolarHBondContact O-N 2.84Å; S562-E564 VanDerWaalsContact C-N 3.35Å; S562-E564 WeakPolarHBondContact CB-OE2 3.35Å; S562-E564 PolarHBondContact OG-N 3.13Å; S562-E564 PolarHBondContact OG-OE2 3.29Å
563	G	87.3	Confident	93	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	86.8	-3.6	-178.1	0	0	0	0	0	115.1	R283 W559 S560 L561	R283-G563 PolarHBondContact N-O 3.01Å; W559-G563 PolarHBondContact NE1-O 2.99Å; S560-G563 PolarHBondContact O-N 3.01Å; S560-G563 PolarHBondContact OG-N 3.11Å; L561-G563 VanDerWaalsContact C-N 3.29Å
564	E	87.9	Confident	93.1	Very high	91 Å²	91	26 Å²	26	43%	0.425	12%	0.118	S	C	.	.	S	Bend	trans	-88.1	-23.3	-173.1	-59.3	170.1	126.1	0	0	113.8	S560 S562 S579	S560-E564 PolarHBondContact OG-N 3.06Å; S562-E564 VanDerWaalsContact C-N 3.35Å; S562-E564 WeakPolarHBondContact CB-OE2 3.35Å; S562-E564 PolarHBondContact OG-N 3.13Å; S562-E564 PolarHBondContact OG-OE2 3.29Å; E564-S579 PolarHBondContact O-OG 2.79Å
565	H	91.6	Very high	93.1	Very high	26 Å²	26	26 Å²	26	12%	0.12	12%	0.118	C	C	.	.			trans	-128.1	140.8	-174.8	-69.8	-16.3	0	0	0	111.3	F304 S560 L577	F304-H565 HydrophobicContact CE1-CB 4.33Å; F304-H565 HydrophobicContact CZ-CB 3.96Å; S560-H565 VanDerWaalsContact CB-O 3.27Å; S560-H565 WeakPolarHBondContact CB-O 3.43Å; S560-H565 PolarHBondContact N-O 3.4Å; S560-H565 WeakPolarHBondContact OG-CA 3.5Å; S560-H565 PolarHBondContact OG-N 3.06Å; S560-H565 PolarHBondContact OG-O 2.82Å; H565-L577 HydrophobicContact CB-CD1 4.02Å
566	F	94.8	Very high	93.1	Very high	1 Å²	1	26 Å²	26	0%	0.004	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	142.3	178.4	176.6	-90.2	0	0	0	109.2	P285 V515 A524 V532 L546 V557 W559 W578	P285-F566 HydrophobicContact CB-CB 4.3Å; P285-F566 HydrophobicContact CG-CB 3.97Å; P285-F566 HydrophobicContact CG-CD1 4.16Å; P285-F566 HydrophobicContact CG-CG 4.08Å; V515-F566 HydrophobicContact CG2-CE2 4.29Å; A524-F566 HydrophobicContact CB-CE2 3.54Å; A524-F566 HydrophobicContact CB-CZ 3.76Å; V532-F566 HydrophobicContact CB-CE1 4.46Å; V532-F566 HydrophobicContact CG1-CE1 3.72Å; V532-F566 HydrophobicContact CG1-CZ 3.7Å; V532-F566 HydrophobicContact CG2-CE1 4.14Å; L546-F566 HydrophobicContact CD1-CE1 4.47Å; V557-F566 HydrophobicContact CB-CE1 4.35Å; V557-F566 HydrophobicContact CB-CE2 4.06Å; V557-F566 HydrophobicContact CB-CZ 3.54Å; V557-F566 HydrophobicContact CG1-CE1 4.14Å; V557-F566 HydrophobicContact CG1-CZ 3.66Å; V557-F566 HydrophobicContact CG2-CZ 4.26Å; W559-F566 HydrophobicContact CB-CD2 4.21Å; W559-F566 AromaticContact CD2-CD2 3.75Å; W559-F566 HydrophobicContact CD2-CD2 3.75Å; W559-F566 HydrophobicContact CD2-CE2 4.43Å; W559-F566 AromaticContact CE3-CD2 3.68Å; W559-F566 HydrophobicContact CE3-CD2 3.68Å; W559-F566 AromaticContact CE3-CE2 3.92Å; W559-F566 HydrophobicContact CE3-CE2 3.92Å; W559-F566 AromaticContact CG-CD2 3.99Å; W559-F566 HydrophobicContact CG-CD2 3.99Å; W559-F566 HydrophobicContact CZ3-CD2 4.34Å; W559-F566 HydrophobicContact CZ3-CE2 4.46Å; F566-W578 HydrophobicContact CB-CB 4.36Å; F566-W578 HydrophobicContact CD1-CB 4.27Å; F566-W578 AromaticContact CD1-CD1 3.74Å; F566-W578 HydrophobicContact CD1-CG 4.17Å; F566-W578 PolarHBondContact N-O 2.93Å; F566-W578 PolarHBondContact O-N 3.29Å
567	V	96.1	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	136.2	-179	174.1	0	0	0	0	110.8	V302 F304 L311 V557 S558 V569 V576 L577	V302-V567 HydrophobicContact CG2-CB 4.44Å; V302-V567 HydrophobicContact CG2-CG1 3.93Å; F304-V567 HydrophobicContact CE2-CB 4.06Å; F304-V567 HydrophobicContact CE2-CG2 3.7Å; F304-V567 HydrophobicContact CZ-CB 4.48Å; F304-V567 HydrophobicContact CZ-CG2 3.63Å; L311-V567 HydrophobicContact CD1-CB 4.24Å; L311-V567 HydrophobicContact CD1-CG1 4.49Å; L311-V567 HydrophobicContact CD1-CG2 4.01Å; L311-V567 HydrophobicContact CD2-CG1 4.19Å; L311-V567 HydrophobicContact CD2-CG2 4.03Å; V557-V567 CarbonylContact C-O 3.6Å; V557-V567 VanDerWaalsContact CA-O 3.26Å; V557-V567 WeakPolarHBondContact CA-O 3.34Å; S558-V567 PolarHBondContact N-O 3.29Å; S558-V567 PolarHBondContact O-N 3.48Å; V567-V569 HydrophobicContact CG1-CG1 4.09Å; V567-V576 WeakPolarHBondContact CA-O 3.34Å; V567-L577 HydrophobicContact CG2-CB 4.48Å; V567-L577 HydrophobicContact CG2-CD1 3.64Å
568	S	96.1	Very high	93	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.5	168.8	55.2	0	0	0	0	111	H550 A575 V576 W578	H550-S568 PolarHBondContact CE1-O 2.97Å; H550-S568 WeakPolarHBondContact NE2-CB 3.46Å; H550-S568 PolarHBondContact NE2-OG 2.92Å; S568-A575 WeakPolarHBondContact O-CA 3.43Å; S568-V576 PolarHBondContact N-O 3.5Å; S568-V576 VanDerWaalsContact N-O 3.13Å; S568-V576 PolarHBondContact O-N 3.47Å; S568-W578 PolarHBondContact OG-NE1 3.25Å
569	V	95.8	Very high	92.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	143.9	-178.2	-62.3	0	0	0	0	112.2	I299 V302 T313 I554 T555 A556 V567 R574 A575	I299-V569 HydrophobicContact CB-CB 3.9Å; I299-V569 HydrophobicContact CB-CG2 4.1Å; I299-V569 HydrophobicContact CD1-CB 3.86Å; I299-V569 HydrophobicContact CD1-CG1 3.95Å; I299-V569 HydrophobicContact CG1-CB 4.46Å; I299-V569 HydrophobicContact CG2-CB 3.79Å; I299-V569 HydrophobicContact CG2-CG1 4.15Å; I299-V569 HydrophobicContact CG2-CG2 3.7Å; V302-V569 HydrophobicContact CB-CG1 3.89Å; V302-V569 HydrophobicContact CB-CG2 3.93Å; V302-V569 HydrophobicContact CG1-CB 4.49Å; V302-V569 HydrophobicContact CG1-CG1 4.05Å; V302-V569 HydrophobicContact CG1-CG2 3.64Å; V302-V569 HydrophobicContact CG2-CG1 4.2Å; T313-V569 HydrophobicContact CG2-CG1 4.36Å; I554-V569 CarbonylContact C-O 3.57Å; I554-V569 WeakPolarHBondContact CA-O 3.49Å; I554-V569 WeakPolarHBondContact CG2-O 3.43Å; T555-V569 PolarHBondContact N-O 3.41Å; T555-V569 PolarHBondContact OG1-O 2.85Å; A556-V569 HydrophobicContact CB-CG2 3.8Å; A556-V569 PolarHBondContact N-O 3.38Å; A556-V569 WeakPolarHBondContact O-CG2 3.43Å; A556-V569 PolarHBondContact O-N 3.12Å; V567-V569 HydrophobicContact CG1-CG1 4.09Å; V569-R574 WeakPolarHBondContact CA-O 3.43Å; V569-A575 HydrophobicContact CG1-CB 3.86Å
570	D	94.5	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	173.4	-173.5	72	27.1	0	0	0	115.8	I299 H550 S572 R573 R574	I299-D570 PolarHBondContact N-O 3.08Å; H550-D570 HydrophobicContact CB-CB 4.18Å; H550-D570 WeakPolarHBondContact CB-OD2 3.37Å; H550-D570 IonicContact CE1-OD2 3.48Å; H550-D570 IonicContact CG-OD2 2.69Å; H550-D570 WeakPolarHBondContact ND1-CB 3.46Å; H550-D570 VanDerWaalsContact ND1-CG 3.29Å; H550-D570 IonicContact ND1-OD2 3.39Å; H550-D570 PolarHBondContact ND1-OD2 2.71Å; D570-S572 PolarHBondContact O-N 3.26Å; D570-S572 WeakPolarHBondContact OD1-CA 3.28Å; D570-S572 PolarHBondContact OD1-N 2.89Å; D570-S572 PolarHBondContact OD1-OG 3.14Å; D570-S572 PolarHBondContact OD2-OG 3.49Å; D570-R573 PolarHBondContact OD1-N 3.31Å; D570-R574 PolarHBondContact N-O 2.86Å; D570-R574 PolarHBondContact OD1-N 2.69Å; D570-R574 WeakPolarHBondContact OD2-CB 3.38Å
571	R	92.3	Very high	91	Very high	112 Å²	112	34.2 Å²	34.2	42%	0.423	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-14.3	175.1	-64.2	-170.9	171.2	143.9	5.2	113.8	G298 G508 S552 S553 T555 R573	G298-R571 WeakPolarHBondContact CA-O 3.45Å; G508-R571 VanDerWaalsContact C-NH2 3.32Å; G508-R571 VanDerWaalsContact O-CZ 3.27Å; G508-R571 PolarHBondContact O-NH1 3.38Å; G508-R571 PolarHBondContact O-NH2 2.86Å; S552-R571 PolarHBondContact OG-N 3.37Å; S553-R571 PolarHBondContact O-N 2.86Å; T555-R571 HydrophobicContact CG2-CG 3.34Å; R571-R573 VanDerWaalsContact C-N 3.35Å
572	S	91.4	Very high	91.2	Very high	27 Å²	27	33.9 Å²	33.9	19%	0.189	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	20.6	179.4	37.7	0	0	0	0	113.2	S551 S552 D570 R574	S551-S572 PolarHBondContact OG-OG 3.43Å; S552-S572 WeakPolarHBondContact CB-OG 3.23Å; S552-S572 PolarHBondContact N-OG 3.28Å; S552-S572 WeakPolarHBondContact OG-CB 3.44Å; S552-S572 PolarHBondContact OG-N 2.83Å; S552-S572 PolarHBondContact OG-OG 2.98Å; D570-S572 PolarHBondContact O-N 3.26Å; D570-S572 WeakPolarHBondContact OD1-CA 3.28Å; D570-S572 PolarHBondContact OD1-N 2.89Å; D570-S572 PolarHBondContact OD1-OG 3.14Å; D570-S572 PolarHBondContact OD2-OG 3.49Å; S572-R574 VanDerWaalsContact C-N 3.31Å; S572-R574 PolarHBondContact O-N 3.15Å
573	R	93.8	Very high	91.4	Very high	115 Å²	115	33.2 Å²	33.2	43%	0.434	15%	0.15	S	C	.	.	S	Bend	trans	77.8	-0.2	173.9	-47.7	137.2	-171.2	-136.4	-3	115.7	E293 A294 H295 E296 Q297 D570 R571	E293-R573 CarbonylContact C-O 3.56Å; A294-R573 PolarHBondContact N-O 3.11Å; H295-R573 VanDerWaalsContact O-CB 3.28Å; H295-R573 WeakPolarHBondContact O-CB 3.28Å; H295-R573 WeakPolarHBondContact O-CG 3.44Å; E296-R573 PolarHBondContact O-NE 3.12Å; E296-R573 PolarHBondContact O-NH1 3.36Å; E296-R573 PolarHBondContact O-NH2 2.99Å; Q297-R573 VanDerWaalsContact C-CG 3.41Å; Q297-R573 VanDerWaalsContact O-CG 3.23Å; Q297-R573 WeakPolarHBondContact O-CG 3.29Å; D570-R573 PolarHBondContact OD1-N 3.31Å; R571-R573 VanDerWaalsContact C-N 3.35Å
574	R	94.5	Very high	91.7	Very high	73 Å²	73	35 Å²	35	28%	0.275	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	136.8	-173.7	-59.7	179	167.8	-169.8	-2.7	111.4	L292 E293 Q549 V569 D570 S572	L292-R574 CarbonylContact O-C 3.59Å; L292-R574 VanDerWaalsContact O-CA 3.31Å; L292-R574 WeakPolarHBondContact O-CA 3.38Å; E293-R574 HydrophobicContact CG-CG 4.32Å; E293-R574 IonicContact OE1-NE 3.14Å; Q549-R574 PolarHBondContact O-NH1 2.98Å; V569-R574 WeakPolarHBondContact CA-O 3.43Å; D570-R574 PolarHBondContact N-O 2.86Å; D570-R574 PolarHBondContact OD1-N 2.69Å; D570-R574 WeakPolarHBondContact OD2-CB 3.38Å; S572-R574 VanDerWaalsContact C-N 3.31Å; S572-R574 PolarHBondContact O-N 3.15Å
575	A	95.3	Very high	91.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	139.1	159.2	0	0	0	0	0	108.6	L292 A294 I299 S568 V569	L292-A575 HydrophobicContact CD1-CB 4Å; L292-A575 HydrophobicContact CG-CB 4.37Å; L292-A575 PolarHBondContact N-O 3Å; L292-A575 PolarHBondContact O-N 2.73Å; A294-A575 HydrophobicContact CB-CB 4.12Å; I299-A575 HydrophobicContact CD1-CB 4.37Å; S568-A575 WeakPolarHBondContact O-CA 3.43Å; V569-A575 HydrophobicContact CG1-CB 3.86Å
576	V	95.4	Very high	91.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	124.1	174.2	-175.3	0	0	0	0	108.5	P288 Q290 V291 Q549 V567 S568 W578	P288-V576 HydrophobicContact CB-CG1 3.71Å; Q290-V576 WeakPolarHBondContact O-CA 3.41Å; V291-V576 HydrophobicContact CB-CG2 4.45Å; V291-V576 HydrophobicContact CG1-CG2 4.16Å; V291-V576 HydrophobicContact CG2-CG1 4.11Å; V291-V576 HydrophobicContact CG2-CG2 4.06Å; Q549-V576 HydrophobicContact CB-CG2 4.15Å; V567-V576 WeakPolarHBondContact CA-O 3.34Å; S568-V576 PolarHBondContact N-O 3.5Å; S568-V576 VanDerWaalsContact N-O 3.13Å; S568-V576 PolarHBondContact O-N 3.47Å; V576-W578 HydrophobicContact CB-CZ2 4.2Å; V576-W578 HydrophobicContact CG1-CD2 4.01Å; V576-W578 VanDerWaalsContact CG1-CE2 3.42Å; V576-W578 HydrophobicContact CG1-CG 4.38Å; V576-W578 HydrophobicContact CG1-CH2 4.38Å; V576-W578 HydrophobicContact CG1-CZ2 3.65Å; V576-W578 VanDerWaalsContact O-CD1 3.24Å; V576-W578 PolarHBondContact O-NE1 3.09Å
577	L	94.9	Very high	91.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130.9	170.9	178.2	65.7	0	0	0	109.1	P288 L289 Q290 F304 G328 L330 H565 V567	P288-L577 CarbonylContact C-O 3.57Å; P288-L577 WeakPolarHBondContact CA-O 3.44Å; L289-L577 PolarHBondContact N-O 3.2Å; Q290-L577 HydrophobicContact CB-CB 4.41Å; Q290-L577 PolarHBondContact N-O 2.97Å; Q290-L577 PolarHBondContact O-N 3.36Å; F304-L577 HydrophobicContact CZ-CD1 4.48Å; G328-L577 WeakPolarHBondContact O-CD2 3.47Å; L330-L577 HydrophobicContact CD1-CB 4.06Å; L330-L577 HydrophobicContact CD2-CD2 4.28Å; L330-L577 HydrophobicContact CG-CB 4.21Å; L330-L577 HydrophobicContact CG-CD2 4.03Å; H565-L577 HydrophobicContact CB-CD1 4.02Å; V567-L577 HydrophobicContact CG2-CB 4.48Å; V567-L577 HydrophobicContact CG2-CD1 3.64Å
578	W	93.9	Very high	91.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	151.9	-178.1	-51.7	83.7	0	0	0	111.9	P285 R287 P288 L546 P547 Q549 F566 S568 V576	P285-W578 HydrophobicContact CB-CB 3.68Å; P285-W578 HydrophobicContact CG-CB 4.45Å; R287-W578 VanDerWaalsContact C-CE3 3.49Å; R287-W578 VanDerWaalsContact O-CA 3.27Å; R287-W578 WeakPolarHBondContact O-CA 3.35Å; P288-W578 HydrophobicContact CB-CD2 4.39Å; P288-W578 HydrophobicContact CB-CE3 3.93Å; P288-W578 HydrophobicContact CB-CH2 4.25Å; P288-W578 HydrophobicContact CB-CZ3 3.84Å; P288-W578 HydrophobicContact CG-CE3 4.47Å; P288-W578 HydrophobicContact CG-CZ3 4.03Å; L546-W578 HydrophobicContact CB-CE3 4.31Å; L546-W578 HydrophobicContact CB-CH2 3.88Å; L546-W578 HydrophobicContact CB-CZ2 4.32Å; L546-W578 HydrophobicContact CB-CZ3 3.87Å; L546-W578 HydrophobicContact CD1-CD2 3.68Å; L546-W578 HydrophobicContact CD1-CE3 3.77Å; L546-W578 HydrophobicContact CD1-CG 4.09Å; L546-W578 HydrophobicContact CD1-CH2 4.48Å; L546-W578 HydrophobicContact CD1-CZ2 4.38Å; L546-W578 HydrophobicContact CD1-CZ3 4.2Å; P547-W578 HydrophobicContact CG-CH2 4.1Å; P547-W578 HydrophobicContact CG-CZ3 3.88Å; P547-W578 WeakPolarHBondContact O-CH2 3.25Å; Q549-W578 HydrophobicContact CB-CH2 4.18Å; Q549-W578 HydrophobicContact CB-CZ2 4.27Å; Q549-W578 HydrophobicContact CG-CH2 3.6Å; Q549-W578 HydrophobicContact CG-CZ2 4.17Å; Q549-W578 HydrophobicContact CG-CZ3 4.39Å; F566-W578 HydrophobicContact CB-CB 4.36Å; F566-W578 HydrophobicContact CD1-CB 4.27Å; F566-W578 AromaticContact CD1-CD1 3.74Å; F566-W578 HydrophobicContact CD1-CG 4.17Å; F566-W578 PolarHBondContact N-O 2.93Å; F566-W578 PolarHBondContact O-N 3.29Å; S568-W578 PolarHBondContact OG-NE1 3.25Å; V576-W578 HydrophobicContact CB-CZ2 4.2Å; V576-W578 HydrophobicContact CG1-CD2 4.01Å; V576-W578 VanDerWaalsContact CG1-CE2 3.42Å; V576-W578 HydrophobicContact CG1-CG 4.38Å; V576-W578 HydrophobicContact CG1-CH2 4.38Å; V576-W578 HydrophobicContact CG1-CZ2 3.65Å; V576-W578 VanDerWaalsContact O-CD1 3.24Å; V576-W578 PolarHBondContact O-NE1 3.09Å
579	S	90.5	Very high	91	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	179.8	174.1	-164.4	0	0	0	0	110.9	V286 R287 L289 E564	V286-S579 PolarHBondContact N-O 3.04Å; R287-S579 PolarHBondContact N-O 2.97Å; R287-S579 PolarHBondContact O-N 3.25Å; R287-S579 VanDerWaalsContact O-N 3.08Å; L289-S579 VanDerWaalsContact CD1-CB 3.49Å; E564-S579 PolarHBondContact O-OG 2.79Å
580	D	83	Confident	90.6	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.273	19%	0.19	S	C	.	.			trans	-91.3	-12.3	174.6	65.4	-55.7	0	0	0	113.8	R283	R283-D580 HydrophobicContact CB-CB 4.29Å; R283-D580 WeakPolarHBondContact CD-OD1 3.31Å; R283-D580 WeakPolarHBondContact CD-OD2 3.49Å; R283-D580 IonicContact CZ-OD2 2.76Å; R283-D580 IonicContact NE-OD2 3.78Å; R283-D580 IonicContact NH1-OD1 3.46Å; R283-D580 PolarHBondContact NH1-OD1 3.4Å; R283-D580 IonicContact NH1-OD2 2.75Å; R283-D580 PolarHBondContact NH1-OD2 2.9Å
581	I	68.4	Low	90.3	Very high	132 Å²	132	46.5 Å²	46.5	68%	0.677	21%	0.208	S	C	*	.			trans	-72.2	0	-174.4	-52.7	176	0	0	0	112	R287	R287-I581 WeakPolarHBondContact CD-O 3.47Å; R287-I581 PolarHBondContact NH1-OXT 3.32Å

Retrieved 581 of 581 residues in 146.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).