A0A087X6P7_POEFO Loading...

Integrin beta

AlphaFold DB , UniProt , Accession A0A087X6P7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 611 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	32.6	Very low	233 Å²	233	179.4 Å²	179.4	100%	1.148	86%	0.863	S	S	*	*				0	78.1	0	-65.2	169.3	70.6	0	0	106.9
2	T	36.6	Very low	32.8	Very low	139 Å²	139	174.8 Å²	174.8	85%	0.853	85%	0.854	S	S	*	*				85	95.8	99.1	51.4	0	0	0	0	114.5
3	S	27.3	Very low	32.6	Very low	112 Å²	112	173.8 Å²	173.8	78%	0.783	85%	0.854	S	S	*	*			trans	-174.4	115.4	143.3	54.2	0	0	0	0	107.8
4	W	32	Very low	32.6	Very low	237 Å²	237	171.4 Å²	171.4	90%	0.898	85%	0.845	S	S	*	*				49.8	102.1	89.7	-85.8	64.9	0	0	0	115.5
5	Q	29.9	Very low	32.6	Very low	162 Å²	162	171.5 Å²	171.5	76%	0.757	85%	0.849	S	S	*	*				165.8	132.6	103.5	-102.1	176.4	-27.1	0	0	114.5
6	R	32.3	Very low	32.6	Very low	232 Å²	232	167.1 Å²	167.1	88%	0.875	84%	0.839	S	S	*	*			trans	13.4	129.7	145.4	-72.8	176.3	170	174.3	-3.2	120.2
7	S	28.6	Very low	32.5	Very low	124 Å²	124	164.9 Å²	164.9	87%	0.867	84%	0.841	S	S	*	*				-169.8	127.6	124.2	12.9	0	0	0	0	112.1
8	R	29.5	Very low	32.6	Very low	240 Å²	240	162.1 Å²	162.1	91%	0.906	83%	0.832	S	S	*	*			trans	-92	-172.8	159.5	-73.2	-175.4	171.4	-173.6	-2.3	107.8
9	P	52.3	Low	32.7	Very low	113 Å²	113	158 Å²	158	73%	0.734	83%	0.826	S	S	*	*				-126	172.3	-56.4	34.6	-18.7	0	0	0	111.4
10	L	29.2	Very low	32.6	Very low	162 Å²	162	159.2 Å²	159.2	85%	0.848	82%	0.824	S	S	*	*			trans	-157.4	114	158.2	-138.5	82.7	0	0	0	114.9
11	R	29.5	Very low	32.5	Very low	219 Å²	219	157.3 Å²	157.3	83%	0.826	82%	0.82	S	S	*	*			trans	34.6	117	137.7	-63.7	-179.1	174.7	-176.3	-1.8	119.7
12	V	34.5	Very low	32.4	Very low	125 Å²	125	152 Å²	152	76%	0.758	80%	0.8	S	S	*	*				64.7	108.1	87	178.5	0	0	0	0	114.4
13	L	30.4	Very low	31.8	Very low	161 Å²	161	150.8 Å²	150.8	84%	0.843	80%	0.796	S	S	*	*			trans	-173.7	98.4	144.7	-103.3	139	0	0	0	107.7
14	L	32.8	Very low	31.8	Very low	141 Å²	141	149.7 Å²	149.7	74%	0.738	79%	0.794	S	S	*	*				51.4	100.4	96.6	-100.9	153.7	0	0	0	113.8
15	L	32.8	Very low	31.7	Very low	173 Å²	173	142.8 Å²	142.8	91%	0.906	79%	0.787	S	S	*	*			trans	-145.3	112.6	153.5	-105.2	151.4	0	0	0	109.4
16	C	32.1	Very low	31.6	Very low	101 Å²	101	139.8 Å²	139.8	68%	0.682	79%	0.79	S	S	*	*			trans	-54.2	129.1	175.3	-62.5	0	0	0	0	111.7
17	C	30.7	Very low	31.4	Very low	129 Å²	129	133.8 Å²	133.8	87%	0.872	78%	0.783	S	S	*	*			trans	-121.1	93.1	154	-81.4	0	0	0	0	107.2	A19	C17-A19 VanDerWaalsContact C-N 3.31Å; C17-A19 PolarHBondContact O-N 3.31Å
18	V	34.6	Very low	31.7	Very low	114 Å²	114	133.3 Å²	133.3	69%	0.691	78%	0.78	S	S	*	*			trans	-67.2	94.6	164.6	178.4	0	0	0	0	106	F20	V18-F20 HydrophobicContact CG1-CD2 4Å; V18-F20 HydrophobicContact CG1-CE2 4.18Å; V18-F20 PolarHBondContact O-N 2.99Å; V18-F20 VanDerWaalsContact O-N 3.1Å
19	A	34	Very low	31.8	Very low	85 Å²	85	125 Å²	125	70%	0.702	77%	0.769	S	S	*	*			trans	-73.5	97.5	166.3	0	0	0	0	0	107.3	C17 V21	C17-A19 VanDerWaalsContact C-N 3.31Å; C17-A19 PolarHBondContact O-N 3.31Å; A19-V21 VanDerWaalsContact C-N 3.27Å; A19-V21 PolarHBondContact O-N 3.12Å
20	F	30.8	Very low	31	Very low	181 Å²	181	121.2 Å²	121.2	79%	0.794	75%	0.751	S	S	*	*			trans	-58.2	96.7	159.3	-96.1	-91.3	0	0	0	107.4	V18 V22	V18-F20 HydrophobicContact CG1-CD2 4Å; V18-F20 HydrophobicContact CG1-CE2 4.18Å; V18-F20 PolarHBondContact O-N 2.99Å; V18-F20 VanDerWaalsContact O-N 3.1Å; F20-V22 PolarHBondContact O-N 2.98Å
21	V	30.4	Very low	31.3	Very low	121 Å²	121	115.7 Å²	115.7	73%	0.733	73%	0.729	S	S	*	*			trans	-69.1	93.5	160.5	177.3	0	0	0	0	105.4	A19 C23	A19-V21 VanDerWaalsContact C-N 3.27Å; A19-V21 PolarHBondContact O-N 3.12Å; V21-C23 VanDerWaalsContact C-N 3.27Å; V21-C23 PolarHBondContact O-N 3.27Å
22	V	29.7	Very low	32.3	Very low	120 Å²	120	115.8 Å²	115.8	73%	0.727	73%	0.729	S	S	*	*			trans	-60.1	100.4	160.3	175.7	0	0	0	0	105	F20 A24	F20-V22 PolarHBondContact O-N 2.98Å; V22-A24 PolarHBondContact O-N 2.99Å
23	C	24.8	Very low	33.8	Very low	114 Å²	114	112 Å²	112	77%	0.77	71%	0.711	S	S	*	*			trans	-58.5	96.5	160.5	-81	0	0	0	0	106	V21 A25	V21-C23 VanDerWaalsContact C-N 3.27Å; V21-C23 PolarHBondContact O-N 3.27Å; C23-A25 PolarHBondContact O-N 3.1Å
24	A	27.5	Very low	36	Very low	89 Å²	89	104.3 Å²	104.3	74%	0.736	67%	0.671	S	S	*	*			trans	-59.5	100	157.8	0	0	0	0	0	105.4	V22 A26	V22-A24 PolarHBondContact O-N 2.99Å; A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 3.48Å
25	A	29	Very low	38.1	Very low	92 Å²	92	101.8 Å²	101.8	76%	0.76	65%	0.652	S	S	*	*			trans	-56.2	104.8	164.9	0	0	0	0	0	106	C23 S27	C23-A25 PolarHBondContact O-N 3.1Å; A25-S27 PolarHBondContact O-N 2.83Å
26	A	27.9	Very low	40	Very low	99 Å²	99	95 Å²	95	82%	0.818	62%	0.619	S	S	*	*			trans	-55.8	106.8	167.6	0	0	0	0	0	106.6	A24 S28	A24-A26 VanDerWaalsContact C-N 3.32Å; A24-A26 PolarHBondContact O-N 3.48Å; A26-S28 PolarHBondContact O-N 3.46Å
27	S	27.6	Very low	41.6	Very low	106 Å²	106	93.8 Å²	93.8	74%	0.741	61%	0.611	S	S	*	*			trans	-62.5	108	176.1	44.4	0	0	0	0	108.6	A25 G29	A25-S27 PolarHBondContact O-N 2.83Å; S27-G29 VanDerWaalsContact C-N 3.31Å; S27-G29 PolarHBondContact O-N 2.03Å
28	S	36.5	Very low	43.4	Very low	114 Å²	114	90.7 Å²	90.7	80%	0.797	59%	0.591	S	S	*	*	S	Bend	trans	21.2	55.2	143.2	64.4	0	0	0	0	118.6	A26	A26-S28 PolarHBondContact O-N 3.46Å
29	G	29.8	Very low	45.2	Very low	66 Å²	66	85.3 Å²	85.3	68%	0.68	56%	0.558	S	S	*	*			trans	-92	-21.6	168.1	0	0	0	0	0	114.2	S27	S27-G29 VanDerWaalsContact C-N 3.31Å; S27-G29 PolarHBondContact O-N 2.03Å
30	G	35.4	Very low	47.1	Very low	34 Å²	34	85.6 Å²	85.6	35%	0.351	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.8	-15	-170.8	0	0	0	0	0	116.5	R32 A33	G30-R32 VanDerWaalsContact C-N 3.26Å; G30-R32 PolarHBondContact O-N 2.79Å; G30-A33 PolarHBondContact O-N 2.73Å
31	A	36.7	Very low	49.3	Very low	46 Å²	46	78.9 Å²	78.9	38%	0.38	53%	0.527	S	S	.	.	H	α-helix	trans	-71.6	-16.8	-174.1	0	0	0	0	0	114.1
32	R	50.3	Low	51.7	Low	220 Å²	220	73.5 Å²	73.5	83%	0.83	50%	0.495	S	S	*	.	H	α-helix	trans	-95	-3.8	177.4	-77	-178.2	176.7	163.4	-1.8	114.3	G30	G30-R32 VanDerWaalsContact C-N 3.26Å; G30-R32 PolarHBondContact O-N 2.79Å
33	A	66.5	Low	54	Low	46 Å²	46	69.6 Å²	69.6	38%	0.38	48%	0.475	S	S	.	.	H	α-helix	trans	-80.6	-40.2	-176.4	0	0	0	0	0	113.1	G30	G30-A33 PolarHBondContact O-N 2.73Å
34	C	76.1	Confident	56.5	Low	0 Å²	0	66.5 Å²	66.5	0%	0	45%	0.451	C	S	.	.	H	α-helix	trans	-97.7	-36.9	-177.4	-62.9	0	0	0	0	113.4	R48 C52 C70	C34-R48 WeakPolarHBondContact O-CD 3.14Å; C34-C52 WeakPolarHBondContact CA-SG 3.43Å; C34-C52 HydrophobicContact CB-CB 3.68Å; C34-C52 WeakPolarHBondContact CB-SG 2.95Å; C34-C52 WeakPolarHBondContact SG-CA 3.42Å; C34-C52 WeakPolarHBondContact SG-CB 3.29Å; C34-C52 CovalentContact SG-SG 2.04Å; C34-C52 PolarHBondContact SG-SG 2.74Å; C34-C70 PolarHBondContact O-SG 3.09Å
35	W	77.3	Confident	59.1	Low	88 Å²	88	62.3 Å²	62.3	33%	0.333	42%	0.416	S	S	.	.			trans	-88.6	130.4	-176.4	175.3	79	0	0	0	111.8	S67 H68 C70	W35-S67 VanDerWaalsContact CD1-O 3.23Å; W35-H68 AromaticContact CD1-ND1 3.99Å; W35-H68 AromaticContact CE2-CE1 3.57Å; W35-H68 AromaticContact CE2-ND1 3.87Å; W35-H68 AromaticContact CZ2-CE1 3.5Å; W35-H68 AromaticContact CZ2-NE2 3.76Å; W35-H68 AromaticContact NE1-CD2 3.91Å; W35-H68 AromaticContact NE1-CE1 3.43Å; W35-H68 PolarHBondContact NE1-CE1 3.28Å; W35-H68 AromaticContact NE1-CG 3.63Å; W35-H68 AromaticContact NE1-ND1 3.32Å; W35-H68 PolarHBondContact NE1-ND1 3.41Å; W35-H68 AromaticContact NE1-NE2 3.8Å; W35-C70 WeakPolarHBondContact CB-O 3.37Å
36	S	72.2	Confident	61.6	Low	30 Å²	30	58 Å²	58	21%	0.21	38%	0.38	C	S	.	.			trans	-156.3	149.5	172.2	173.6	0	0	0	0	109.9	S38 V39 R48 S67	S36-S38 PolarHBondContact O-N 3.26Å; S36-S38 VanDerWaalsContact O-N 3.12Å; S36-S38 PolarHBondContact OG-N 3.05Å; S36-S38 PolarHBondContact OG-OG 2.84Å; S36-V39 PolarHBondContact O-N 3.46Å; S36-V39 VanDerWaalsContact O-N 3.1Å; S36-R48 VanDerWaalsContact CB-CZ 3.44Å; S36-R48 PolarHBondContact OG-NH2 3.16Å; S36-S67 WeakPolarHBondContact O-CB 3.13Å
37	S	65.9	Low	63.9	Low	76 Å²	76	59 Å²	59	53%	0.531	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.5	176.8	51.3	0	0	0	0	114.1
38	S	68.1	Low	66.4	Low	63 Å²	63	58.5 Å²	58.5	44%	0.441	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.2	176.7	64.4	0	0	0	0	114.5	S36 T40 R48	S36-S38 PolarHBondContact O-N 3.26Å; S36-S38 VanDerWaalsContact O-N 3.12Å; S36-S38 PolarHBondContact OG-N 3.05Å; S36-S38 PolarHBondContact OG-OG 2.84Å; S38-T40 PolarHBondContact O-N 2.88Å; S38-R48 PolarHBondContact OG-NH2 2.03Å
39	V	73.4	Confident	68.2	Low	2 Å²	2	53.3 Å²	53.3	1%	0.012	32%	0.315	C	S	.	.			trans	-79.5	115.4	178.7	-176.9	0	0	0	0	109.7	S36 D44 C45 W54 S67 C70	S36-V39 PolarHBondContact O-N 3.46Å; S36-V39 VanDerWaalsContact O-N 3.1Å; V39-D44 HydrophobicContact CG1-CB 4.13Å; V39-C45 HydrophobicContact CG1-CB 3.82Å; V39-W54 HydrophobicContact CG1-CE3 4.44Å; V39-W54 HydrophobicContact CG1-CZ3 3.76Å; V39-S67 WeakPolarHBondContact O-CA 3.08Å; V39-C70 HydrophobicContact CB-CB 4.45Å; V39-C70 HydrophobicContact CG1-CB 3.78Å
40	T	72.5	Confident	70.5	Confident	90 Å²	90	53 Å²	53	55%	0.552	30%	0.3	S	S	*	.			trans	-114.9	-26.5	-178.2	63.9	0	0	0	0	113	S38 D44	S38-T40 PolarHBondContact O-N 2.88Å; T40-D44 PolarHBondContact N-OD2 3.22Å; T40-D44 VanDerWaalsContact N-OD2 3.11Å; T40-D44 PolarHBondContact OG1-OD2 2.91Å
41	S	77.9	Confident	72.8	Confident	40 Å²	40	55.5 Å²	55.5	28%	0.28	30%	0.303	S	S	.	.	S	Bend	trans	-123.4	163.6	-177.6	89	0	0	0	0	112.8	A43 D44 C45	S41-A43 VanDerWaalsContact C-N 3.28Å; S41-A43 PolarHBondContact O-N 3.36Å; S41-A43 PolarHBondContact OG-N 3.04Å; S41-D44 PolarHBondContact N-OD2 3.24Å; S41-D44 PolarHBondContact O-N 2.89Å; S41-D44 PolarHBondContact OG-N 3.11Å; S41-D44 PolarHBondContact OG-OD1 2.96Å; S41-D44 PolarHBondContact OG-OD2 3.23Å; S41-C45 PolarHBondContact O-N 2.98Å; S41-C45 VanDerWaalsContact O-N 3.12Å
42	C	81	Confident	75.2	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-62.4	-36.6	171	172.8	0	0	0	0	112	C45 L46 W54 F56 C461	C42-C45 WeakPolarHBondContact O-CB 2.83Å; C42-C45 PolarHBondContact O-N 3.18Å; C42-L46 WeakPolarHBondContact O-CG 2.94Å; C42-L46 PolarHBondContact O-N 3.37Å; C42-W54 HydrophobicContact CB-CB 4.08Å; C42-W54 HydrophobicContact CB-CD2 4.07Å; C42-W54 HydrophobicContact CB-CG 3.66Å; C42-F56 HydrophobicContact CB-CE1 4.48Å; C42-F56 HydrophobicContact CB-CE2 4.33Å; C42-F56 HydrophobicContact CB-CZ 3.72Å; C42-C461 VanDerWaalsContact C-SG 3.59Å; C42-C461 HydrophobicContact CB-CB 3.66Å; C42-C461 WeakPolarHBondContact CB-SG 3.4Å; C42-C461 WeakPolarHBondContact SG-CB 3.19Å; C42-C461 CovalentContact SG-SG 2.04Å; C42-C461 PolarHBondContact SG-SG 3.47Å
43	A	77.7	Confident	76.9	Confident	38 Å²	38	42.9 Å²	42.9	31%	0.314	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-47.1	177.2	0	0	0	0	0	110.8	S41 C45 L46 Q47	S41-A43 VanDerWaalsContact C-N 3.28Å; S41-A43 PolarHBondContact O-N 3.36Å; S41-A43 PolarHBondContact OG-N 3.04Å; A43-C45 PolarHBondContact O-N 2.9Å; A43-L46 PolarHBondContact O-N 3.26Å; A43-Q47 WeakPolarHBondContact O-CB 3.18Å; A43-Q47 VanDerWaalsContact O-CG 3.3Å; A43-Q47 WeakPolarHBondContact O-CG 3.42Å; A43-Q47 PolarHBondContact O-N 3.45Å
44	D	78.1	Confident	77.9	Confident	49 Å²	49	41.1 Å²	41.1	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-57.7	-39.2	176.7	-48.9	-9.8	0	0	0	111.1	V39 T40 S41	V39-D44 HydrophobicContact CG1-CB 4.13Å; T40-D44 PolarHBondContact N-OD2 3.22Å; T40-D44 VanDerWaalsContact N-OD2 3.11Å; T40-D44 PolarHBondContact OG1-OD2 2.91Å; S41-D44 PolarHBondContact N-OD2 3.24Å; S41-D44 PolarHBondContact O-N 2.89Å; S41-D44 PolarHBondContact OG-N 3.11Å; S41-D44 PolarHBondContact OG-OD1 2.96Å; S41-D44 PolarHBondContact OG-OD2 3.23Å
45	C	81.9	Confident	78.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-49.4	179.2	178	0	0	0	0	112.1	V39 S41 C42 A43 Q47 R48 C52 A53 W54 C70	V39-C45 HydrophobicContact CG1-CB 3.82Å; S41-C45 PolarHBondContact O-N 2.98Å; S41-C45 VanDerWaalsContact O-N 3.12Å; C42-C45 WeakPolarHBondContact O-CB 2.83Å; C42-C45 PolarHBondContact O-N 3.18Å; A43-C45 PolarHBondContact O-N 2.9Å; C45-Q47 VanDerWaalsContact C-N 3.28Å; C45-Q47 PolarHBondContact O-N 3.15Å; C45-R48 WeakPolarHBondContact O-CB 3.04Å; C45-R48 PolarHBondContact O-N 2.87Å; C45-C52 WeakPolarHBondContact O-CB 3.27Å; C45-A53 PolarHBondContact SG-O 2.73Å; C45-W54 HydrophobicContact CB-CB 4.41Å; C45-W54 HydrophobicContact CB-CD2 4.43Å; C45-W54 HydrophobicContact CB-CE3 3.6Å; C45-W54 HydrophobicContact CB-CZ3 4.26Å; C45-C70 WeakPolarHBondContact CA-SG 3.04Å; C45-C70 HydrophobicContact CB-CB 3.62Å; C45-C70 WeakPolarHBondContact CB-SG 3.17Å; C45-C70 WeakPolarHBondContact SG-CA 3.15Å; C45-C70 WeakPolarHBondContact SG-CB 2.97Å; C45-C70 CovalentContact SG-SG 2.02Å; C45-C70 PolarHBondContact SG-SG 3.21Å
46	L	80.8	Confident	78.5	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-74	-23	-175.8	-62.7	175.9	0	0	0	112.2	C42 A43 R48 G49 C52 E87	C42-L46 WeakPolarHBondContact O-CG 2.94Å; C42-L46 PolarHBondContact O-N 3.37Å; A43-L46 PolarHBondContact O-N 3.26Å; L46-R48 PolarHBondContact O-N 2.9Å; L46-G49 PolarHBondContact O-N 2.04Å; L46-C52 WeakPolarHBondContact CD2-O 3.39Å; L46-E87 HydrophobicContact CD1-CG 3.83Å
47	Q	77.1	Confident	78.7	Confident	121 Å²	121	38.7 Å²	38.7	57%	0.565	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.5	171.7	-76.8	179.7	-2.8	0	0	114	A43 C45 G49 A116	A43-Q47 WeakPolarHBondContact O-CB 3.18Å; A43-Q47 VanDerWaalsContact O-CG 3.3Å; A43-Q47 WeakPolarHBondContact O-CG 3.42Å; A43-Q47 PolarHBondContact O-N 3.45Å; C45-Q47 VanDerWaalsContact C-N 3.28Å; C45-Q47 PolarHBondContact O-N 3.15Å; Q47-G49 PolarHBondContact O-N 3.21Å; Q47-A116 HydrophobicContact CB-CB 3.87Å; Q47-A116 HydrophobicContact CG-CB 3.76Å
48	R	78.6	Confident	78.6	Confident	95 Å²	95	40.2 Å²	40.2	36%	0.358	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.9	177.2	-70.4	-177.8	171.2	-98.1	-2.3	113.5	C34 S36 S38 C45 L46	C34-R48 WeakPolarHBondContact O-CD 3.14Å; S36-R48 VanDerWaalsContact CB-CZ 3.44Å; S36-R48 PolarHBondContact OG-NH2 3.16Å; S38-R48 PolarHBondContact OG-NH2 2.03Å; C45-R48 WeakPolarHBondContact O-CB 3.04Å; C45-R48 PolarHBondContact O-N 2.87Å; L46-R48 PolarHBondContact O-N 2.9Å
49	G	75.4	Confident	78.3	Confident	6 Å²	6	42.8 Å²	42.8	6%	0.062	23%	0.225	C	C	.	.			trans	147.6	164.1	171.8	0	0	0	0	0	113.4	L46 Q47 Q51 C52	L46-G49 PolarHBondContact O-N 2.04Å; Q47-G49 PolarHBondContact O-N 3.21Å; G49-Q51 PolarHBondContact O-N 2.74Å; G49-Q51 VanDerWaalsContact O-N 3.15Å; G49-C52 WeakPolarHBondContact O-CB 3.02Å; G49-C52 PolarHBondContact O-N 3.37Å; G49-C52 VanDerWaalsContact O-N 3.07Å
50	P	78.4	Confident	77.3	Confident	58 Å²	58	43 Å²	43	38%	0.377	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.5	-175.2	27.5	-36.8	0	0	0	113.6	C52 G117	P50-C52 VanDerWaalsContact C-N 3.27Å; P50-C52 PolarHBondContact O-N 3.27Å; P50-G117 WeakPolarHBondContact CD-O 3.47Å; P50-G117 WeakPolarHBondContact CG-O 3.34Å
51	Q	83.4	Confident	76.4	Confident	87 Å²	87	41.8 Å²	41.8	41%	0.407	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.8	177.7	71.6	-77.5	0.7	0	0	114	G49 L72 P73	G49-Q51 PolarHBondContact O-N 2.74Å; G49-Q51 VanDerWaalsContact O-N 3.15Å; Q51-L72 HydrophobicContact CB-CD2 4.01Å; Q51-L72 HydrophobicContact CG-CD2 3.77Å; Q51-L72 WeakPolarHBondContact O-CD2 3.2Å; Q51-P73 WeakPolarHBondContact O-CD 3.01Å
52	C	85.6	Confident	74.8	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.241	C	C	.	.			trans	-88.4	150.1	-175.3	-55.5	0	0	0	0	111.8	C34 C45 L46 G49 P50	C34-C52 WeakPolarHBondContact CA-SG 3.43Å; C34-C52 HydrophobicContact CB-CB 3.68Å; C34-C52 WeakPolarHBondContact CB-SG 2.95Å; C34-C52 WeakPolarHBondContact SG-CA 3.42Å; C34-C52 WeakPolarHBondContact SG-CB 3.29Å; C34-C52 CovalentContact SG-SG 2.04Å; C34-C52 PolarHBondContact SG-SG 2.74Å; C45-C52 WeakPolarHBondContact O-CB 3.27Å; L46-C52 WeakPolarHBondContact CD2-O 3.39Å; G49-C52 WeakPolarHBondContact O-CB 3.02Å; G49-C52 PolarHBondContact O-N 3.37Å; G49-C52 VanDerWaalsContact O-N 3.07Å; P50-C52 VanDerWaalsContact C-N 3.27Å; P50-C52 PolarHBondContact O-N 3.27Å
53	A	87.1	Confident	73.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.4	176.4	0	0	0	0	0	111	C45 C70 D71 P73 L76 M86 E87 R88	C45-A53 PolarHBondContact SG-O 2.73Å; A53-C70 WeakPolarHBondContact O-CA 3.42Å; A53-D71 PolarHBondContact N-O 2.84Å; A53-D71 PolarHBondContact O-N 2.95Å; A53-D71 VanDerWaalsContact O-N 3.11Å; A53-D71 VanDerWaalsContact O-O 3.11Å; A53-P73 HydrophobicContact CB-CB 4.48Å; A53-P73 HydrophobicContact CB-CG 3.84Å; A53-L76 HydrophobicContact CB-CD1 3.8Å; A53-L76 WeakPolarHBondContact O-CD1 3.45Å; A53-M86 HydrophobicContact CB-CG 3.86Å; A53-M86 HydrophobicContact CB-SD 4.07Å; A53-E87 CarbonylContact C-O 3.44Å; A53-E87 VanDerWaalsContact CA-O 3.26Å; A53-E87 WeakPolarHBondContact CA-O 3.21Å; A53-E87 WeakPolarHBondContact CB-O 3.43Å; A53-R88 HydrophobicContact CB-CB 4.35Å
54	W	86.6	Confident	72.1	Confident	10 Å²	10	53.4 Å²	53.4	4%	0.038	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.7	179	-176.5	-95.2	0	0	0	111.6	V39 C42 C45 F56 Q66 R69 C70 M86 E87	V39-W54 HydrophobicContact CG1-CE3 4.44Å; V39-W54 HydrophobicContact CG1-CZ3 3.76Å; C42-W54 HydrophobicContact CB-CB 4.08Å; C42-W54 HydrophobicContact CB-CD2 4.07Å; C42-W54 HydrophobicContact CB-CG 3.66Å; C45-W54 HydrophobicContact CB-CB 4.41Å; C45-W54 HydrophobicContact CB-CD2 4.43Å; C45-W54 HydrophobicContact CB-CE3 3.6Å; C45-W54 HydrophobicContact CB-CZ3 4.26Å; W54-F56 AromaticContact CD1-CD2 3.8Å; W54-F56 AromaticContact CD1-CE1 3.86Å; W54-F56 AromaticContact CD1-CE2 3.62Å; W54-F56 AromaticContact CD1-CG 4Å; W54-F56 AromaticContact CD1-CZ 3.65Å; W54-F56 AromaticContact NE1-CD1 3.91Å; W54-F56 AromaticContact NE1-CE1 3.76Å; W54-Q66 HydrophobicContact CH2-CG 4.18Å; W54-Q66 WeakPolarHBondContact CH2-O 3.35Å; W54-Q66 HydrophobicContact CZ2-CG 4.38Å; W54-R69 CarbonylContact C-O 3.24Å; W54-R69 WeakPolarHBondContact CA-O 3.49Å; W54-R69 HydrophobicContact CD2-CB 3.9Å; W54-R69 HydrophobicContact CE3-CB 3.85Å; W54-R69 HydrophobicContact CH2-CB 3.64Å; W54-R69 HydrophobicContact CH2-CG 4.49Å; W54-R69 HydrophobicContact CZ2-CB 3.64Å; W54-R69 HydrophobicContact CZ2-CG 4.3Å; W54-R69 HydrophobicContact CZ3-CB 3.72Å; W54-C70 HydrophobicContact CE3-CB 3.68Å; W54-C70 HydrophobicContact CZ3-CB 3.81Å; W54-M86 CarbonylContact O-C 3.58Å; W54-M86 WeakPolarHBondContact O-CA 3.27Å; W54-E87 PolarHBondContact N-O 3.27Å; W54-E87 PolarHBondContact O-N 2.96Å
55	S	85.4	Confident	71.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.4	176	175.8	0	0	0	0	112.7	Q57 R69 C81	S55-Q57 PolarHBondContact OG-N 3.44Å; S55-R69 PolarHBondContact N-O 2.03Å; S55-R69 PolarHBondContact O-NH1 2.76Å; S55-C81 VanDerWaalsContact CB-SG 3.58Å; S55-C81 PolarHBondContact OG-SG 3.23Å
56	F	81.7	Confident	70.4	Confident	43 Å²	43	60.7 Å²	60.7	19%	0.189	32%	0.318	C	S	.	.			trans	-91.2	4.2	171	-72.7	-74.9	0	0	0	114	C42 W54 E58 F85 E87 C461 C463	C42-F56 HydrophobicContact CB-CE1 4.48Å; C42-F56 HydrophobicContact CB-CE2 4.33Å; C42-F56 HydrophobicContact CB-CZ 3.72Å; W54-F56 AromaticContact CD1-CD2 3.8Å; W54-F56 AromaticContact CD1-CE1 3.86Å; W54-F56 AromaticContact CD1-CE2 3.62Å; W54-F56 AromaticContact CD1-CG 4Å; W54-F56 AromaticContact CD1-CZ 3.65Å; W54-F56 AromaticContact NE1-CD1 3.91Å; W54-F56 AromaticContact NE1-CE1 3.76Å; F56-E58 PolarHBondContact O-N 3.5Å; F56-F85 PolarHBondContact N-O 3.42Å; F56-E87 HydrophobicContact CD2-CB 4.08Å; F56-E87 HydrophobicContact CE2-CB 3.66Å; F56-E87 HydrophobicContact CE2-CG 4.33Å; F56-C461 HydrophobicContact CE2-CB 4.13Å; F56-C461 HydrophobicContact CZ-CB 3.78Å; F56-C463 HydrophobicContact CB-CB 3.78Å; F56-C463 HydrophobicContact CD1-CB 4.03Å; F56-C463 HydrophobicContact CD2-CB 3.81Å; F56-C463 HydrophobicContact CE2-CB 4.37Å; F56-C463 HydrophobicContact CG-CB 3.62Å
57	Q	75.5	Confident	69.8	Low	24 Å²	24	60.8 Å²	60.8	11%	0.112	32%	0.319	C	S	.	.			trans	-70.2	127.9	-178.3	-178.8	173.4	-30.2	0	0	110.7	S55 Y60 R69 G80 F85	S55-Q57 PolarHBondContact OG-N 3.44Å; Q57-Y60 WeakPolarHBondContact O-CB 3.25Å; Q57-Y60 PolarHBondContact O-N 2.77Å; Q57-R69 PolarHBondContact O-NH1 2.87Å; Q57-R69 PolarHBondContact O-NH2 3.29Å; Q57-G80 PolarHBondContact NE2-O 2.98Å; Q57-G80 PolarHBondContact OE1-O 2.74Å; Q57-F85 HydrophobicContact CB-CB 3.86Å; Q57-F85 HydrophobicContact CB-CD2 4.14Å; Q57-F85 HydrophobicContact CB-CG 4.08Å; Q57-F85 HydrophobicContact CG-CD2 4.24Å
58	E	64.2	Low	69.6	Low	107 Å²	107	57.4 Å²	57.4	50%	0.5	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-51.9	-175.7	-69.2	-175.4	118.9	0	0	112	F56 Y60 R69 G470 G471	F56-E58 PolarHBondContact O-N 3.5Å; E58-Y60 PolarHBondContact O-N 3.06Å; E58-R69 PolarHBondContact O-NH2 3.17Å; E58-G470 WeakPolarHBondContact CG-O 3.29Å; E58-G471 WeakPolarHBondContact OE1-CA 3.36Å; E58-G471 PolarHBondContact OE1-N 2.96Å
59	D	61.1	Low	69.7	Low	117 Å²	117	55.4 Å²	55.4	63%	0.626	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	4.1	-178.8	-40.2	-24.9	0	0	0	113.9	L61	D59-L61 PolarHBondContact O-N 2.94Å
60	Y	53.7	Low	70.2	Confident	6 Å²	6	55.1 Å²	55.1	2%	0.024	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	100.6	-177.1	-166.9	-103.7	0	0	0	110.2	Q57 E58 R69 L76 R79 C81	Q57-Y60 WeakPolarHBondContact O-CB 3.25Å; Q57-Y60 PolarHBondContact O-N 2.77Å; E58-Y60 PolarHBondContact O-N 3.06Å; Y60-R69 HydrophobicContact CD1-CG 4.23Å; Y60-L76 HydrophobicContact CE1-CD2 4.17Å; Y60-L76 WeakPolarHBondContact OH-CD2 3.24Å; Y60-R79 HydrophobicContact CE2-CB 3.86Å; Y60-R79 VanDerWaalsContact OH-CB 3.27Å; Y60-R79 WeakPolarHBondContact OH-CB 3.4Å; Y60-R79 WeakPolarHBondContact OH-CD 3.02Å; Y60-C81 HydrophobicContact CD2-CB 3.86Å; Y60-C81 HydrophobicContact CE2-CB 3.58Å
61	L	53	Low	70.6	Confident	65 Å²	65	52.4 Å²	52.4	34%	0.34	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	67.6	174.9	-61.8	167.2	0	0	0	113.7	D59 G63 T64 H68	D59-L61 PolarHBondContact O-N 2.94Å; L61-G63 PolarHBondContact O-N 2.9Å; L61-T64 HydrophobicContact CB-CG2 3.89Å; L61-T64 WeakPolarHBondContact CB-OG1 3.13Å; L61-T64 PolarHBondContact O-N 3.36Å; L61-T64 PolarHBondContact O-OG1 3.05Å; L61-H68 HydrophobicContact CD1-CB 4.43Å
62	H	45.4	Very low	70.7	Confident	174 Å²	174	50.1 Å²	50.1	81%	0.806	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	121.6	168.8	-100.9	-59.1	0	0	0	111.8
63	G	45.9	Very low	70.8	Confident	87 Å²	87	51.5 Å²	51.5	90%	0.897	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	6.2	175.7	0	0	0	0	0	116.4	L61	L61-G63 PolarHBondContact O-N 2.9Å
64	T	54.4	Low	70.8	Confident	71 Å²	71	55.5 Å²	55.5	44%	0.436	30%	0.296	S	S	.	.	S	Bend	trans	-99.4	158.1	175.9	63	0	0	0	0	112.9	L61	L61-T64 HydrophobicContact CB-CG2 3.89Å; L61-T64 WeakPolarHBondContact CB-OG1 3.13Å; L61-T64 PolarHBondContact O-N 3.36Å; L61-T64 PolarHBondContact O-OG1 3.05Å
65	E	59.9	Low	70.7	Confident	89 Å²	89	56.2 Å²	56.2	42%	0.416	30%	0.3	S	S	.	.			trans	-62.6	142.7	178.1	-67.1	-170.2	170.1	0	0	111.5	S67 H68 K539	E65-S67 WeakPolarHBondContact CB-OG 3.42Å; E65-S67 PolarHBondContact O-N 3.05Å; E65-H68 WeakPolarHBondContact O-CB 3.12Å; E65-H68 PolarHBondContact O-CD2 3.16Å; E65-H68 PolarHBondContact O-N 3.42Å; E65-K539 IonicContact OE1-NZ 2.74Å; E65-K539 PolarHBondContact OE1-NZ 3.04Å
66	Q	66.2	Low	70.6	Confident	112 Å²	112	56.2 Å²	56.2	52%	0.523	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-58.2	-24.5	-175.9	-161.3	158	10.4	0	0	113.2	W54 H68 R69	W54-Q66 HydrophobicContact CH2-CG 4.18Å; W54-Q66 WeakPolarHBondContact CH2-O 3.35Å; W54-Q66 HydrophobicContact CZ2-CG 4.38Å; Q66-H68 PolarHBondContact O-N 3.25Å; Q66-R69 WeakPolarHBondContact O-CB 3.32Å; Q66-R69 PolarHBondContact O-N 2.95Å; Q66-R69 VanDerWaalsContact O-N 3.16Å
67	S	66.8	Low	70.7	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.028	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-54.8	-32.8	171.8	54.7	0	0	0	0	113.5	W35 S36 V39 E65 R69 C70	W35-S67 VanDerWaalsContact CD1-O 3.23Å; S36-S67 WeakPolarHBondContact O-CB 3.13Å; V39-S67 WeakPolarHBondContact O-CA 3.08Å; E65-S67 WeakPolarHBondContact CB-OG 3.42Å; E65-S67 PolarHBondContact O-N 3.05Å; S67-R69 PolarHBondContact O-N 3.46Å; S67-R69 VanDerWaalsContact O-N 3.16Å; S67-C70 PolarHBondContact O-N 3.43Å
68	H	73.6	Confident	71	Confident	49 Å²	49	67.9 Å²	67.9	23%	0.227	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-68.9	-10.3	-179.8	-73	-78.4	0	0	0	114.5	W35 L61 E65 Q66	W35-H68 AromaticContact CD1-ND1 3.99Å; W35-H68 AromaticContact CE2-CE1 3.57Å; W35-H68 AromaticContact CE2-ND1 3.87Å; W35-H68 AromaticContact CZ2-CE1 3.5Å; W35-H68 AromaticContact CZ2-NE2 3.76Å; W35-H68 AromaticContact NE1-CD2 3.91Å; W35-H68 AromaticContact NE1-CE1 3.43Å; W35-H68 PolarHBondContact NE1-CE1 3.28Å; W35-H68 AromaticContact NE1-CG 3.63Å; W35-H68 AromaticContact NE1-ND1 3.32Å; W35-H68 PolarHBondContact NE1-ND1 3.41Å; W35-H68 AromaticContact NE1-NE2 3.8Å; L61-H68 HydrophobicContact CD1-CB 4.43Å; E65-H68 WeakPolarHBondContact O-CB 3.12Å; E65-H68 PolarHBondContact O-CD2 3.16Å; E65-H68 PolarHBondContact O-N 3.42Å; Q66-H68 PolarHBondContact O-N 3.25Å
69	R	80.8	Confident	71.6	Confident	53 Å²	53	67.9 Å²	67.9	20%	0.2	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-73.4	-17.9	171.3	-64.8	178.7	172.8	-80.4	-5.5	112.3	W54 S55 Q57 E58 Y60 Q66 S67	W54-R69 CarbonylContact C-O 3.24Å; W54-R69 WeakPolarHBondContact CA-O 3.49Å; W54-R69 HydrophobicContact CD2-CB 3.9Å; W54-R69 HydrophobicContact CE3-CB 3.85Å; W54-R69 HydrophobicContact CH2-CB 3.64Å; W54-R69 HydrophobicContact CH2-CG 4.49Å; W54-R69 HydrophobicContact CZ2-CB 3.64Å; W54-R69 HydrophobicContact CZ2-CG 4.3Å; W54-R69 HydrophobicContact CZ3-CB 3.72Å; S55-R69 PolarHBondContact N-O 2.03Å; S55-R69 PolarHBondContact O-NH1 2.76Å; Q57-R69 PolarHBondContact O-NH1 2.87Å; Q57-R69 PolarHBondContact O-NH2 3.29Å; E58-R69 PolarHBondContact O-NH2 3.17Å; Y60-R69 HydrophobicContact CD1-CG 4.23Å; Q66-R69 WeakPolarHBondContact O-CB 3.32Å; Q66-R69 PolarHBondContact O-N 2.95Å; Q66-R69 VanDerWaalsContact O-N 3.16Å; S67-R69 PolarHBondContact O-N 3.46Å; S67-R69 VanDerWaalsContact O-N 3.16Å
70	C	85.3	Confident	72.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118.9	172.5	-169.7	0	0	0	0	111.2	C34 W35 V39 C45 A53 W54 S67	C34-C70 PolarHBondContact O-SG 3.09Å; W35-C70 WeakPolarHBondContact CB-O 3.37Å; V39-C70 HydrophobicContact CB-CB 4.45Å; V39-C70 HydrophobicContact CG1-CB 3.78Å; C45-C70 WeakPolarHBondContact CA-SG 3.04Å; C45-C70 HydrophobicContact CB-CB 3.62Å; C45-C70 WeakPolarHBondContact CB-SG 3.17Å; C45-C70 WeakPolarHBondContact SG-CA 3.15Å; C45-C70 WeakPolarHBondContact SG-CB 2.97Å; C45-C70 CovalentContact SG-SG 2.02Å; C45-C70 PolarHBondContact SG-SG 3.21Å; A53-C70 WeakPolarHBondContact O-CA 3.42Å; W54-C70 HydrophobicContact CE3-CB 3.68Å; W54-C70 HydrophobicContact CZ3-CB 3.81Å; S67-C70 PolarHBondContact O-N 3.43Å
71	D	86.8	Confident	73.6	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.011	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	-178.6	174.6	-147.6	-39.7	0	0	0	109.6	A53 N75 L76 R79	A53-D71 PolarHBondContact N-O 2.84Å; A53-D71 PolarHBondContact O-N 2.95Å; A53-D71 VanDerWaalsContact O-N 3.11Å; A53-D71 VanDerWaalsContact O-O 3.11Å; D71-N75 HydrophobicContact CB-CB 4.14Å; D71-N75 WeakPolarHBondContact OD1-CB 3.31Å; D71-N75 PolarHBondContact OD1-ND2 2.76Å; D71-L76 HydrophobicContact CB-CD2 3.67Å; D71-L76 HydrophobicContact CB-CG 3.98Å; D71-R79 IonicContact OD2-CZ 3.53Å; D71-R79 IonicContact OD2-NH1 2.67Å; D71-R79 PolarHBondContact OD2-NH1 3.3Å; D71-R79 IonicContact OD2-NH2 2.78Å; D71-R79 PolarHBondContact OD2-NH2 3.27Å
72	L	86.9	Confident	74.9	Confident	39 Å²	39	68.1 Å²	68.1	20%	0.204	34%	0.34	C	S	.	.			trans	-63.2	143.6	168.4	-65.1	172.6	0	0	0	110.5	Q51 D74 N75 L76	Q51-L72 HydrophobicContact CB-CD2 4.01Å; Q51-L72 HydrophobicContact CG-CD2 3.77Å; Q51-L72 WeakPolarHBondContact O-CD2 3.2Å; L72-D74 PolarHBondContact O-N 2.9Å; L72-D74 VanDerWaalsContact O-N 3.09Å; L72-N75 HydrophobicContact CB-CB 4.48Å; L72-N75 WeakPolarHBondContact O-CA 3.43Å; L72-N75 WeakPolarHBondContact O-CB 3.5Å; L72-N75 PolarHBondContact O-N 2.85Å; L72-L76 PolarHBondContact O-N 2.75Å
73	P	87.4	Confident	76.6	Confident	29 Å²	29	63.7 Å²	63.7	19%	0.188	33%	0.327	C	S	.	.	H	α-helix	trans	-51.6	-36	179.4	-28.6	30.8	0	0	0	114.8	Q51 A53 R77 M86	Q51-P73 WeakPolarHBondContact O-CD 3.01Å; A53-P73 HydrophobicContact CB-CB 4.48Å; A53-P73 HydrophobicContact CB-CG 3.84Å; P73-R77 WeakPolarHBondContact O-CB 3.06Å; P73-R77 WeakPolarHBondContact O-CG 3.48Å; P73-R77 PolarHBondContact O-N 2.77Å; P73-R77 VanDerWaalsContact O-N 3.14Å; P73-R77 PolarHBondContact O-NE 3.37Å; P73-M86 HydrophobicContact CB-SD 3.86Å
74	D	86.6	Confident	78.2	Confident	85 Å²	85	64.6 Å²	64.6	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-70.3	-33.7	177.3	-66.9	-50.2	0	0	0	112.6	L72 R77 R78	L72-D74 PolarHBondContact O-N 2.9Å; L72-D74 VanDerWaalsContact O-N 3.09Å; D74-R77 IonicContact OD1-CZ 3.3Å; D74-R77 IonicContact OD1-NE 3.09Å; D74-R77 IonicContact OD1-NH1 3.16Å; D74-R77 PolarHBondContact OD1-NH1 3.28Å; D74-R77 IonicContact OD1-NH2 2.76Å; D74-R77 PolarHBondContact OD1-NH2 2.85Å; D74-R78 WeakPolarHBondContact O-CB 3.26Å; D74-R78 WeakPolarHBondContact O-CG 3.41Å; D74-R78 PolarHBondContact O-N 2.9Å; D74-R78 PolarHBondContact O-NE 2.67Å
75	N	84.7	Confident	79.3	Confident	24 Å²	24	64.1 Å²	64.1	13%	0.128	30%	0.3	C	S	.	.	H	α-helix	trans	-73.4	-42.8	177.9	-68.1	-13.4	0	0	0	110.7	D71 L72 R77 R78 R79	D71-N75 HydrophobicContact CB-CB 4.14Å; D71-N75 WeakPolarHBondContact OD1-CB 3.31Å; D71-N75 PolarHBondContact OD1-ND2 2.76Å; L72-N75 HydrophobicContact CB-CB 4.48Å; L72-N75 WeakPolarHBondContact O-CA 3.43Å; L72-N75 WeakPolarHBondContact O-CB 3.5Å; L72-N75 PolarHBondContact O-N 2.85Å; N75-R77 VanDerWaalsContact C-N 3.31Å; N75-R77 PolarHBondContact O-N 3.34Å; N75-R78 PolarHBondContact O-N 3.16Å; N75-R78 PolarHBondContact OD1-NH2 3.16Å; N75-R79 WeakPolarHBondContact O-CG 3.44Å; N75-R79 PolarHBondContact O-N 3.41Å
76	L	82.8	Confident	80.4	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.8	-44.7	174.8	-65.7	-176.5	0	0	0	111.3	A53 Y60 D71 L72 R79 G80 C81 M86	A53-L76 HydrophobicContact CB-CD1 3.8Å; A53-L76 WeakPolarHBondContact O-CD1 3.45Å; Y60-L76 HydrophobicContact CE1-CD2 4.17Å; Y60-L76 WeakPolarHBondContact OH-CD2 3.24Å; D71-L76 HydrophobicContact CB-CD2 3.67Å; D71-L76 HydrophobicContact CB-CG 3.98Å; L72-L76 PolarHBondContact O-N 2.75Å; L76-R79 CarbonylContact O-C 3.59Å; L76-R79 PolarHBondContact O-N 3.45Å; L76-G80 PolarHBondContact O-N 3.35Å; L76-C81 HydrophobicContact CB-CB 3.96Å; L76-C81 WeakPolarHBondContact O-CB 3.31Å; L76-C81 PolarHBondContact O-N 3.04Å; L76-M86 HydrophobicContact CB-CE 3.52Å; L76-M86 HydrophobicContact CD1-CE 4.05Å; L76-M86 HydrophobicContact CD1-CG 4.17Å; L76-M86 HydrophobicContact CD1-SD 4.34Å; L76-M86 HydrophobicContact CG-CE 4.45Å
77	R	84.4	Confident	81.3	Confident	116 Å²	116	56.8 Å²	56.8	44%	0.438	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-47	174.9	-83.1	177.1	-80.6	159	-5.1	112.7	P73 D74 N75 R79 G80 M86	P73-R77 WeakPolarHBondContact O-CB 3.06Å; P73-R77 WeakPolarHBondContact O-CG 3.48Å; P73-R77 PolarHBondContact O-N 2.77Å; P73-R77 VanDerWaalsContact O-N 3.14Å; P73-R77 PolarHBondContact O-NE 3.37Å; D74-R77 IonicContact OD1-CZ 3.3Å; D74-R77 IonicContact OD1-NE 3.09Å; D74-R77 IonicContact OD1-NH1 3.16Å; D74-R77 PolarHBondContact OD1-NH1 3.28Å; D74-R77 IonicContact OD1-NH2 2.76Å; D74-R77 PolarHBondContact OD1-NH2 2.85Å; N75-R77 VanDerWaalsContact C-N 3.31Å; N75-R77 PolarHBondContact O-N 3.34Å; R77-R79 PolarHBondContact O-N 2.96Å; R77-G80 PolarHBondContact O-N 3.11Å; R77-M86 HydrophobicContact CG-CE 3.96Å
78	R	80.6	Confident	82	Confident	196 Å²	196	60.4 Å²	60.4	74%	0.74	28%	0.279	S	S	*	.	H	α-helix	trans	-60.4	-29.4	177.5	-80	-173.8	-81.4	-164.7	-1.8	113.1	D74 N75 G80	D74-R78 WeakPolarHBondContact O-CB 3.26Å; D74-R78 WeakPolarHBondContact O-CG 3.41Å; D74-R78 PolarHBondContact O-N 2.9Å; D74-R78 PolarHBondContact O-NE 2.67Å; N75-R78 PolarHBondContact O-N 3.16Å; N75-R78 PolarHBondContact OD1-NH2 3.16Å; R78-G80 VanDerWaalsContact C-N 3.31Å
79	R	76.8	Confident	82	Confident	107 Å²	107	58.7 Å²	58.7	40%	0.404	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	7.6	175.6	-68.2	175.4	-179.6	158.3	10.4	113.8	Y60 D71 N75 L76 R77	Y60-R79 HydrophobicContact CE2-CB 3.86Å; Y60-R79 VanDerWaalsContact OH-CB 3.27Å; Y60-R79 WeakPolarHBondContact OH-CB 3.4Å; Y60-R79 WeakPolarHBondContact OH-CD 3.02Å; D71-R79 IonicContact OD2-CZ 3.53Å; D71-R79 IonicContact OD2-NH1 2.67Å; D71-R79 PolarHBondContact OD2-NH1 3.3Å; D71-R79 IonicContact OD2-NH2 2.78Å; D71-R79 PolarHBondContact OD2-NH2 3.27Å; N75-R79 WeakPolarHBondContact O-CG 3.44Å; N75-R79 PolarHBondContact O-N 3.41Å; L76-R79 CarbonylContact O-C 3.59Å; L76-R79 PolarHBondContact O-N 3.45Å; R77-R79 PolarHBondContact O-N 2.96Å
80	G	76.3	Confident	81.5	Confident	45 Å²	45	60 Å²	60	46%	0.464	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	11.5	173.1	0	0	0	0	0	116.1	Q57 L76 R77 R78 R82	Q57-G80 PolarHBondContact NE2-O 2.98Å; Q57-G80 PolarHBondContact OE1-O 2.74Å; L76-G80 PolarHBondContact O-N 3.35Å; R77-G80 PolarHBondContact O-N 3.11Å; R78-G80 VanDerWaalsContact C-N 3.31Å; G80-R82 PolarHBondContact O-N 3.12Å
81	C	80.6	Confident	81.2	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.034	30%	0.299	C	S	.	.			trans	-71.7	123.5	171.3	-174.5	0	0	0	0	110.3	S55 Y60 L76 M86	S55-C81 VanDerWaalsContact CB-SG 3.58Å; S55-C81 PolarHBondContact OG-SG 3.23Å; Y60-C81 HydrophobicContact CD2-CB 3.86Å; Y60-C81 HydrophobicContact CE2-CB 3.58Å; L76-C81 HydrophobicContact CB-CB 3.96Å; L76-C81 WeakPolarHBondContact O-CB 3.31Å; L76-C81 PolarHBondContact O-N 3.04Å; C81-M86 HydrophobicContact CB-CE 4.24Å
82	R	80.2	Confident	81	Confident	143 Å²	143	67.5 Å²	67.5	54%	0.54	32%	0.32	S	S	.	.			trans	-73.6	146	172.4	-55.9	-179.4	-174.1	175.9	3.5	110.5	G80 E84 F85	G80-R82 PolarHBondContact O-N 3.12Å; R82-E84 HydrophobicContact CB-CG 3.95Å; R82-E84 VanDerWaalsContact CD-OE1 3.29Å; R82-E84 WeakPolarHBondContact CD-OE1 3.02Å; R82-E84 IonicContact NH1-OE1 3.97Å; R82-E84 PolarHBondContact O-N 3.48Å; R82-F85 HydrophobicContact CB-CD2 4.06Å; R82-F85 PolarHBondContact O-N 3.06Å
83	P	82	Confident	81	Confident	82 Å²	82	68.6 Å²	68.6	53%	0.532	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-58.7	-30.8	179.8	-25.2	34.6	0	0	0	114.4	F85 M86	P83-F85 PolarHBondContact O-N 3.16Å; P83-M86 WeakPolarHBondContact O-CB 3.29Å; P83-M86 PolarHBondContact O-N 3.42Å; P83-M86 VanDerWaalsContact O-N 3.14Å
84	E	78.8	Confident	81	Confident	106 Å²	106	72.8 Å²	72.8	50%	0.495	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-65.7	-22.4	179.5	64.8	-147.9	-157.8	0	0	114.5	R82	R82-E84 HydrophobicContact CB-CG 3.95Å; R82-E84 VanDerWaalsContact CD-OE1 3.29Å; R82-E84 WeakPolarHBondContact CD-OE1 3.02Å; R82-E84 IonicContact NH1-OE1 3.97Å; R82-E84 PolarHBondContact O-N 3.48Å
85	F	78.6	Confident	80.9	Confident	61 Å²	61	72.5 Å²	72.5	27%	0.268	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-103.3	6.1	176.1	-61.2	-68.4	0	0	0	112.6	F56 Q57 R82 P83	F56-F85 PolarHBondContact N-O 3.42Å; Q57-F85 HydrophobicContact CB-CB 3.86Å; Q57-F85 HydrophobicContact CB-CD2 4.14Å; Q57-F85 HydrophobicContact CB-CG 4.08Å; Q57-F85 HydrophobicContact CG-CD2 4.24Å; R82-F85 HydrophobicContact CB-CD2 4.06Å; R82-F85 PolarHBondContact O-N 3.06Å; P83-F85 PolarHBondContact O-N 3.16Å
86	M	82.8	Confident	80.7	Confident	13 Å²	13	74.2 Å²	74.2	6%	0.064	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.9	-177.4	-174.2	-178.8	-60.9	0	0	110.1	A53 W54 P73 L76 R77 C81 P83 R88	A53-M86 HydrophobicContact CB-CG 3.86Å; A53-M86 HydrophobicContact CB-SD 4.07Å; W54-M86 CarbonylContact O-C 3.58Å; W54-M86 WeakPolarHBondContact O-CA 3.27Å; P73-M86 HydrophobicContact CB-SD 3.86Å; L76-M86 HydrophobicContact CB-CE 3.52Å; L76-M86 HydrophobicContact CD1-CE 4.05Å; L76-M86 HydrophobicContact CD1-CG 4.17Å; L76-M86 HydrophobicContact CD1-SD 4.34Å; L76-M86 HydrophobicContact CG-CE 4.45Å; R77-M86 HydrophobicContact CG-CE 3.96Å; C81-M86 HydrophobicContact CB-CE 4.24Å; P83-M86 WeakPolarHBondContact O-CB 3.29Å; P83-M86 PolarHBondContact O-N 3.42Å; P83-M86 VanDerWaalsContact O-N 3.14Å; M86-R88 PolarHBondContact SD-NH2 3.32Å; M86-R88 VanDerWaalsContact SD-NH2 3.44Å
87	E	84.1	Confident	80.1	Confident	33 Å²	33	78.4 Å²	78.4	15%	0.154	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.7	171.2	-177.8	70.4	173	0	0	109.8	L46 A53 W54 F56 R114 C461	L46-E87 HydrophobicContact CD1-CG 3.83Å; A53-E87 CarbonylContact C-O 3.44Å; A53-E87 VanDerWaalsContact CA-O 3.26Å; A53-E87 WeakPolarHBondContact CA-O 3.21Å; A53-E87 WeakPolarHBondContact CB-O 3.43Å; W54-E87 PolarHBondContact N-O 3.27Å; W54-E87 PolarHBondContact O-N 2.96Å; F56-E87 HydrophobicContact CD2-CB 4.08Å; F56-E87 HydrophobicContact CE2-CB 3.66Å; F56-E87 HydrophobicContact CE2-CG 4.33Å; E87-R114 IonicContact OE1-NH2 2.78Å; E87-R114 PolarHBondContact OE1-NH2 3.03Å; E87-R114 VanDerWaalsContact OE1-NH2 3.16Å; E87-C461 HydrophobicContact CG-CB 4.2Å
88	R	81.8	Confident	79.2	Confident	81 Å²	81	78.3 Å²	78.3	31%	0.306	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.6	-172	50.8	178.3	77.3	-179.9	3.8	110.5	A53 M86 D90	A53-R88 HydrophobicContact CB-CB 4.35Å; M86-R88 PolarHBondContact SD-NH2 3.32Å; M86-R88 VanDerWaalsContact SD-NH2 3.44Å; R88-D90 WeakPolarHBondContact CD-OD1 3.35Å; R88-D90 VanDerWaalsContact CD-OD2 3.27Å; R88-D90 WeakPolarHBondContact CD-OD2 3.38Å; R88-D90 WeakPolarHBondContact CG-OD1 3.45Å; R88-D90 WeakPolarHBondContact CG-OD2 3.2Å; R88-D90 PolarHBondContact O-N 3.24Å
89	S	73.9	Confident	78.4	Confident	13 Å²	13	72.8 Å²	72.8	9%	0.091	39%	0.387	C	S	.	.			trans	-77.7	69.2	172.3	-64.6	0	0	0	0	110.2	V91 R114	S89-V91 PolarHBondContact O-N 3.1Å; S89-R114 WeakPolarHBondContact OG-CD 3.32Å
90	D	70.2	Confident	77.8	Confident	81 Å²	81	75.6 Å²	75.6	43%	0.433	41%	0.41	S	S	.	.			trans	-74.4	108.1	176.3	-77.7	-20.4	0	0	0	110.1	R88 K92	R88-D90 WeakPolarHBondContact CD-OD1 3.35Å; R88-D90 VanDerWaalsContact CD-OD2 3.27Å; R88-D90 WeakPolarHBondContact CD-OD2 3.38Å; R88-D90 WeakPolarHBondContact CG-OD1 3.45Å; R88-D90 WeakPolarHBondContact CG-OD2 3.2Å; R88-D90 PolarHBondContact O-N 3.24Å; D90-K92 PolarHBondContact O-N 3.38Å
91	V	79.3	Confident	77.6	Confident	54 Å²	54	74.9 Å²	74.9	33%	0.327	40%	0.398	S	S	.	.			trans	-76.1	119.2	163.7	-178.8	0	0	0	0	108	S89 V93 L113 A120	S89-V91 PolarHBondContact O-N 3.1Å; V91-V93 HydrophobicContact CG1-CG2 4.42Å; V91-L113 HydrophobicContact CG1-CD2 4.32Å; V91-A120 HydrophobicContact CG1-CB 3.68Å
92	K	82.1	Confident	77.3	Confident	105 Å²	105	79.7 Å²	79.7	46%	0.457	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.6	173.5	-65.6	-172.1	178.8	-173	0	109.3	D90 I111 T112	D90-K92 PolarHBondContact O-N 3.38Å; K92-I111 CarbonylContact O-C 3.55Å; K92-I111 WeakPolarHBondContact O-CA 3.42Å; K92-T112 PolarHBondContact N-O 2.76Å; K92-T112 PolarHBondContact O-N 3.07Å
93	V	86.4	Confident	77.6	Confident	61 Å²	61	74.5 Å²	74.5	37%	0.37	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	112.8	171.9	-178.5	0	0	0	0	106.8	V91 V95 I109 I111 A120 F122	V91-V93 HydrophobicContact CG1-CG2 4.42Å; V93-V95 HydrophobicContact CG1-CG2 4.32Å; V93-I109 HydrophobicContact CG1-CG2 4.08Å; V93-I111 HydrophobicContact CG1-CG2 4.25Å; V93-I111 HydrophobicContact CG2-CG2 4.12Å; V93-A120 HydrophobicContact CG2-CB 3.9Å; V93-F122 HydrophobicContact CG1-CB 4.14Å
94	E	87.7	Confident	78	Confident	117 Å²	117	70.6 Å²	70.6	55%	0.547	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.4	178.1	-67.1	176.8	175.9	0	0	107.7	I109 S110	E94-I109 WeakPolarHBondContact O-CA 3.37Å; E94-S110 PolarHBondContact N-O 3.18Å; E94-S110 PolarHBondContact O-N 3.1Å
95	V	85.9	Confident	78.6	Confident	79 Å²	79	68.3 Å²	68.3	48%	0.479	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.7	179.8	177.2	0	0	0	0	108.2	V93 A97 P106	V93-V95 HydrophobicContact CG1-CG2 4.32Å; V95-A97 PolarHBondContact O-N 2.78Å; V95-P106 HydrophobicContact CG1-CB 3.47Å; V95-P106 VanDerWaalsContact CG1-CB 3.47Å; V95-P106 HydrophobicContact CG1-CG 3.6Å
96	D	80.1	Confident	79.2	Confident	60 Å²	60	66 Å²	66	32%	0.321	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	104.7	172.7	-166.9	-15.2	0	0	0	109.8	T98 E108	D96-T98 VanDerWaalsContact OD1-CB 3.28Å; D96-T98 WeakPolarHBondContact OD1-CB 3.27Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.28Å; D96-T98 PolarHBondContact OD1-N 3.32Å; D96-T98 PolarHBondContact OD1-OG1 3.3Å; D96-T98 PolarHBondContact OD2-OG1 2.91Å; D96-E108 HydrophobicContact CB-CB 4.31Å; D96-E108 PolarHBondContact N-O 3.19Å; D96-E108 VanDerWaalsContact N-O 3.13Å
97	A	69	Low	79.6	Confident	88 Å²	88	69.1 Å²	69.1	73%	0.727	38%	0.382	S	S	*	.			trans	-88.9	0.5	177.8	0	0	0	0	0	113.4	V95	V95-A97 PolarHBondContact O-N 2.78Å
98	T	65.5	Low	80	Confident	114 Å²	114	71 Å²	71	70%	0.699	39%	0.391	S	S	*	.			trans	-78.1	-23.9	-176.4	66.6	0	0	0	0	113	D96 N100	D96-T98 VanDerWaalsContact OD1-CB 3.28Å; D96-T98 WeakPolarHBondContact OD1-CB 3.27Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.28Å; D96-T98 PolarHBondContact OD1-N 3.32Å; D96-T98 PolarHBondContact OD1-OG1 3.3Å; D96-T98 PolarHBondContact OD2-OG1 2.91Å; T98-N100 PolarHBondContact O-N 3.45Å
99	L	65	Low	80.5	Confident	81 Å²	81	67.2 Å²	67.2	42%	0.424	38%	0.377	S	S	.	.	S	Bend	trans	-79	99.9	176.3	-71.6	164	0	0	0	109.9	S101 R107 E108	L99-S101 PolarHBondContact O-N 3.28Å; L99-R107 HydrophobicContact CB-CB 3.94Å; L99-R107 HydrophobicContact CB-CG 4.18Å; L99-R107 HydrophobicContact CD1-CB 3.95Å; L99-E108 HydrophobicContact CD1-CB 4.17Å
100	N	64.5	Low	81.5	Confident	165 Å²	165	67.9 Å²	67.9	88%	0.882	38%	0.381	S	S	*	.			trans	-58.7	125.1	171.6	-78.2	-24	0	0	0	109.9	T98	T98-N100 PolarHBondContact O-N 3.45Å
101	S	70.1	Confident	82.6	Confident	31 Å²	31	64 Å²	64	22%	0.217	36%	0.361	C	S	.	.			trans	-133.7	141.1	176.9	-172.4	0	0	0	0	109.8	L99 V104 E449	L99-S101 PolarHBondContact O-N 3.28Å; S101-V104 WeakPolarHBondContact CB-O 2.9Å; S101-V104 PolarHBondContact OG-O 3.12Å; S101-E449 PolarHBondContact OG-OE2 3.48Å
102	T	76	Confident	83.1	Confident	105 Å²	105	62.4 Å²	62.4	64%	0.644	35%	0.351	S	S	*	.	S	Bend	trans	-99.1	-24.9	-173.5	60.5	0	0	0	0	113	E449	T102-E449 PolarHBondContact OG1-OE1 3.33Å
103	Q	85.2	Confident	83.4	Confident	35 Å²	35	57.5 Å²	57.5	16%	0.164	33%	0.33	C	S	.	.	S	Bend	trans	-121	-41.6	-171.6	-38.6	-175.7	-22	0	0	111.8	V126 K127 L129 Y447 N448 E449	Q103-V126 WeakPolarHBondContact O-CA 2.95Å; Q103-K127 PolarHBondContact O-N 3.35Å; Q103-L129 HydrophobicContact CB-CD2 4.43Å; Q103-L129 HydrophobicContact CG-CD1 4.45Å; Q103-L129 HydrophobicContact CG-CD2 3.9Å; Q103-Y447 HydrophobicContact CB-CD1 4.1Å; Q103-Y447 HydrophobicContact CB-CE1 4.34Å; Q103-N448 PolarHBondContact OE1-OD1 2.88Å; Q103-E449 WeakPolarHBondContact CA-OE2 3.48Å; Q103-E449 VanDerWaalsContact CB-OE2 3.24Å; Q103-E449 WeakPolarHBondContact CB-OE2 3.02Å; Q103-E449 PolarHBondContact N-OE2 3.31Å
104	V	90.2	Very high	83.2	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.6	-175.4	-173.1	0	0	0	0	111	S101 V124 A125 P444 Y447 E449	S101-V104 WeakPolarHBondContact CB-O 2.9Å; S101-V104 PolarHBondContact OG-O 3.12Å; V104-V124 HydrophobicContact CG1-CG1 3.95Å; V104-A125 WeakPolarHBondContact CA-O 3.35Å; V104-P444 HydrophobicContact CB-CG 4.46Å; V104-P444 HydrophobicContact CG1-CG 3.88Å; V104-P444 HydrophobicContact CG2-CB 4.44Å; V104-P444 HydrophobicContact CG2-CG 3.68Å; V104-Y447 HydrophobicContact CG2-CD1 4.3Å; V104-E449 HydrophobicContact CB-CB 3.91Å; V104-E449 HydrophobicContact CG2-CB 3.69Å; V104-E449 PolarHBondContact N-OE2 3.32Å
105	S	91.1	Very high	82.5	Confident	58 Å²	58	50.5 Å²	50.5	41%	0.406	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.8	-175.4	-177.6	0	0	0	0	111.9	A125	S105-A125 PolarHBondContact N-O 3.09Å; S105-A125 PolarHBondContact O-N 3.19Å
106	P	92.4	Very high	81.4	Confident	13 Å²	13	48.4 Å²	48.4	8%	0.084	29%	0.285	C	S	.	.			cis	-74.5	167.5	-5.5	34	-38.3	0	0	0	112.2	V95 I109 V123 T451	V95-P106 HydrophobicContact CG1-CB 3.47Å; V95-P106 VanDerWaalsContact CG1-CB 3.47Å; V95-P106 HydrophobicContact CG1-CG 3.6Å; P106-I109 HydrophobicContact CB-CG1 4.47Å; P106-I109 HydrophobicContact CG-CD1 3.61Å; P106-I109 HydrophobicContact CG-CG1 3.51Å; P106-V123 WeakPolarHBondContact CD-O 3.46Å; P106-T451 WeakPolarHBondContact O-CB 3.47Å; P106-T451 WeakPolarHBondContact O-CG2 3.35Å; P106-T451 PolarHBondContact O-OG1 3.5Å
107	R	90.1	Very high	80.6	Confident	77 Å²	77	48 Å²	48	29%	0.291	30%	0.295	S	S	.	.	S	Bend	trans	-85.9	-31.5	177.9	-71.4	-70.4	-63.7	-167.9	-3.3	113.2	L99 E449 S450 T451 V452	L99-R107 HydrophobicContact CB-CB 3.94Å; L99-R107 HydrophobicContact CB-CG 4.18Å; L99-R107 HydrophobicContact CD1-CB 3.95Å; R107-E449 VanDerWaalsContact NH1-CG 3.27Å; R107-S450 PolarHBondContact NH1-O 2.77Å; R107-T451 WeakPolarHBondContact O-CA 3.36Å; R107-V452 PolarHBondContact O-N 3.46Å
108	E	92.8	Very high	80.9	Confident	74 Å²	74	44.1 Å²	44.1	35%	0.346	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.6	-177.8	-169.9	164	-171.1	0	0	110.1	D96 L99 V452	D96-E108 HydrophobicContact CB-CB 4.31Å; D96-E108 PolarHBondContact N-O 3.19Å; D96-E108 VanDerWaalsContact N-O 3.13Å; L99-E108 HydrophobicContact CD1-CB 4.17Å; E108-V452 WeakPolarHBondContact CA-O 3.38Å
109	I	93.4	Very high	82	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.4	175.7	-55.4	177.7	0	0	0	106.9	V93 E94 P106 I111 F122 V124 T451 V452 I453 S454	V93-I109 HydrophobicContact CG1-CG2 4.08Å; E94-I109 WeakPolarHBondContact O-CA 3.37Å; P106-I109 HydrophobicContact CB-CG1 4.47Å; P106-I109 HydrophobicContact CG-CD1 3.61Å; P106-I109 HydrophobicContact CG-CG1 3.51Å; I109-I111 HydrophobicContact CG2-CG2 3.83Å; I109-F122 HydrophobicContact CD1-CB 4.21Å; I109-F122 HydrophobicContact CD1-CD2 3.31Å; I109-F122 HydrophobicContact CD1-CE2 3.82Å; I109-F122 HydrophobicContact CD1-CG 3.86Å; I109-F122 HydrophobicContact CG2-CD1 4.45Å; I109-F122 HydrophobicContact CG2-CG 4.35Å; I109-V124 HydrophobicContact CD1-CG2 4.47Å; I109-T451 HydrophobicContact CD1-CG2 3.82Å; I109-T451 HydrophobicContact CG1-CG2 3.94Å; I109-V452 PolarHBondContact N-O 2.88Å; I109-I453 HydrophobicContact CB-CG1 4.26Å; I109-I453 CarbonylContact O-C 3.56Å; I109-I453 VanDerWaalsContact O-CA 3.28Å; I109-I453 WeakPolarHBondContact O-CA 3.45Å; I109-S454 PolarHBondContact O-N 3.14Å
110	S	94.1	Very high	83.3	Confident	27 Å²	27	39.9 Å²	39.9	19%	0.189	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.6	169.2	-69.4	0	0	0	0	109.1	E94 S454	E94-S110 PolarHBondContact N-O 3.18Å; E94-S110 PolarHBondContact O-N 3.1Å; S110-S454 WeakPolarHBondContact CA-O 3.37Å
111	I	93.1	Very high	84.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.3	174.7	69.1	175.4	0	0	0	110.6	K92 V93 I109 L113 A120 F122 V424 I453 S454 I455 R456	K92-I111 CarbonylContact O-C 3.55Å; K92-I111 WeakPolarHBondContact O-CA 3.42Å; V93-I111 HydrophobicContact CG1-CG2 4.25Å; V93-I111 HydrophobicContact CG2-CG2 4.12Å; I109-I111 HydrophobicContact CG2-CG2 3.83Å; I111-L113 HydrophobicContact CD1-CD1 3.83Å; I111-L113 HydrophobicContact CD1-CG 4.11Å; I111-L113 HydrophobicContact CG1-CG 4.42Å; I111-A120 HydrophobicContact CB-CB 4.28Å; I111-A120 HydrophobicContact CD1-CB 4.18Å; I111-A120 HydrophobicContact CG2-CB 4.25Å; I111-F122 HydrophobicContact CD1-CE1 4.25Å; I111-F122 HydrophobicContact CG2-CD1 4.03Å; I111-F122 HydrophobicContact CG2-CE1 4.06Å; I111-V424 HydrophobicContact CD1-CB 4.07Å; I111-V424 HydrophobicContact CD1-CG1 4.23Å; I111-V424 HydrophobicContact CD1-CG2 4.43Å; I111-I453 HydrophobicContact CD1-CG2 4.09Å; I111-I453 HydrophobicContact CG1-CG2 4.1Å; I111-I453 HydrophobicContact CG2-CG2 4.37Å; I111-S454 PolarHBondContact N-O 3.05Å; I111-I455 HydrophobicContact CD1-CB 4.4Å; I111-I455 HydrophobicContact CD1-CD1 4.27Å; I111-I455 HydrophobicContact CD1-CG1 3.82Å; I111-I455 HydrophobicContact CD1-CG2 4.14Å; I111-I455 HydrophobicContact CG1-CB 4.07Å; I111-I455 HydrophobicContact CG1-CG1 3.84Å; I111-I455 HydrophobicContact CG1-CG2 3.98Å; I111-R456 PolarHBondContact O-N 2.99Å
112	T	89.7	Confident	85.8	Confident	20 Å²	20	33.8 Å²	33.8	12%	0.123	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.4	170.1	-55.8	0	0	0	0	108.8	K92 R456 K458	K92-T112 PolarHBondContact N-O 2.76Å; K92-T112 PolarHBondContact O-N 3.07Å; T112-R456 WeakPolarHBondContact CA-O 3.4Å; T112-R456 HydrophobicContact CG2-CB 4.5Å; T112-K458 HydrophobicContact CG2-CD 3.73Å; T112-K458 HydrophobicContact CG2-CG 3.84Å
113	L	88.1	Confident	86.7	Confident	2 Å²	2	32 Å²	32	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	154.6	-179.3	-66.3	179.9	0	0	0	110.8	V91 I111 A120 Y390 V424 Q426 I455 R456 K458	V91-L113 HydrophobicContact CG1-CD2 4.32Å; I111-L113 HydrophobicContact CD1-CD1 3.83Å; I111-L113 HydrophobicContact CD1-CG 4.11Å; I111-L113 HydrophobicContact CG1-CG 4.42Å; L113-A120 HydrophobicContact CD2-CB 3.74Å; L113-Y390 HydrophobicContact CD1-CD1 4.47Å; L113-Y390 HydrophobicContact CD1-CE1 4.42Å; L113-V424 HydrophobicContact CD1-CB 4.43Å; L113-V424 HydrophobicContact CD1-CG1 3.97Å; L113-Q426 HydrophobicContact CB-CB 4.25Å; L113-Q426 HydrophobicContact CD1-CB 4.39Å; L113-I455 HydrophobicContact CD1-CG2 4.02Å; L113-I455 HydrophobicContact CG-CG2 4.41Å; L113-R456 PolarHBondContact N-O 3.1Å; L113-K458 PolarHBondContact O-N 3.21Å
114	R	82.4	Confident	87.1	Confident	14 Å²	14	30.4 Å²	30.4	5%	0.053	18%	0.183	C	C	.	.			trans	-129.4	144.6	171	-177.9	173.6	-101.6	-88	12	108.6	E87 S89 S118 K458 C459 Q460 C461	E87-R114 IonicContact OE1-NH2 2.78Å; E87-R114 PolarHBondContact OE1-NH2 3.03Å; E87-R114 VanDerWaalsContact OE1-NH2 3.16Å; S89-R114 WeakPolarHBondContact OG-CD 3.32Å; R114-S118 PolarHBondContact N-OG 2.93Å; R114-S118 PolarHBondContact O-OG 3.09Å; R114-K458 VanDerWaalsContact CG-O 3.29Å; R114-K458 WeakPolarHBondContact CG-O 3.49Å; R114-C459 PolarHBondContact NH1-O 3.39Å; R114-Q460 PolarHBondContact NH2-O 2.88Å; R114-C461 VanDerWaalsContact NH2-CA 3.35Å; R114-C461 PolarHBondContact NH2-SG 3.09Å; R114-C461 VanDerWaalsContact NH2-SG 3.4Å
115	P	74.1	Confident	87.3	Confident	17 Å²	17	31.4 Å²	31.4	11%	0.11	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	163.1	-179.9	-13.2	22.4	0	0	0	112.6	C429	P115-C429 HydrophobicContact CG-CB 4.32Å; P115-C429 WeakPolarHBondContact CG-SG 3.24Å
116	A	62.6	Low	87.4	Confident	35 Å²	35	28.6 Å²	28.6	29%	0.289	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	66.1	172.9	0	0	0	0	0	114.3	Q47	Q47-A116 HydrophobicContact CB-CB 3.87Å; Q47-A116 HydrophobicContact CG-CB 3.76Å
117	G	62.4	Low	87.3	Confident	52 Å²	52	32.5 Å²	32.5	54%	0.536	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.2	0.3	161.9	0	0	0	0	0	115.9	P50	P50-G117 WeakPolarHBondContact CD-O 3.47Å; P50-G117 WeakPolarHBondContact CG-O 3.34Å
118	S	75.6	Confident	87.2	Confident	5 Å²	5	29 Å²	29	4%	0.035	17%	0.174	C	C	.	.			trans	-89.4	128.6	170	87.4	0	0	0	0	110.9	R114	R114-S118 PolarHBondContact N-OG 2.93Å; R114-S118 PolarHBondContact O-OG 3.09Å
119	E	89.1	Confident	86.5	Confident	105 Å²	105	27.1 Å²	27.1	49%	0.491	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	145.7	176.2	63.1	-178.6	-162.4	0	0	109.6	W391 T423 V424	E119-W391 HydrophobicContact CB-CZ2 4.3Å; E119-W391 WeakPolarHBondContact OE2-CH2 2.96Å; E119-W391 WeakPolarHBondContact OE2-CZ2 3.44Å; E119-T423 HydrophobicContact CB-CG2 4.01Å; E119-T423 HydrophobicContact CG-CG2 4.24Å; E119-V424 WeakPolarHBondContact CA-O 3.4Å
120	A	91.4	Very high	85.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.6	175	0	0	0	0	0	109.2	V91 V93 I111 L113 T423 V424	V91-A120 HydrophobicContact CG1-CB 3.68Å; V93-A120 HydrophobicContact CG2-CB 3.9Å; I111-A120 HydrophobicContact CB-CB 4.28Å; I111-A120 HydrophobicContact CD1-CB 4.18Å; I111-A120 HydrophobicContact CG2-CB 4.25Å; L113-A120 HydrophobicContact CD2-CB 3.74Å; A120-T423 CarbonylContact O-C 3.4Å; A120-T423 WeakPolarHBondContact O-CA 3.36Å; A120-V424 PolarHBondContact N-O 3.39Å; A120-V424 PolarHBondContact O-N 2.82Å
121	S	93.6	Very high	84.9	Confident	58 Å²	58	40.4 Å²	40.4	41%	0.406	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.7	171.6	-59.2	0	0	0	0	110.6	I422 T423	S121-I422 VanDerWaalsContact CA-O 3.29Å; S121-I422 WeakPolarHBondContact CA-O 3.26Å; S121-T423 PolarHBondContact OG-OG1 3.43Å
122	F	94.2	Very high	84.2	Confident	11 Å²	11	40.6 Å²	40.6	5%	0.048	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.1	175.8	50.3	-93.2	0	0	0	110.6	V93 I109 I111 V124 N421 I422 V424 M440 I453	V93-F122 HydrophobicContact CG1-CB 4.14Å; I109-F122 HydrophobicContact CD1-CB 4.21Å; I109-F122 HydrophobicContact CD1-CD2 3.31Å; I109-F122 HydrophobicContact CD1-CE2 3.82Å; I109-F122 HydrophobicContact CD1-CG 3.86Å; I109-F122 HydrophobicContact CG2-CD1 4.45Å; I109-F122 HydrophobicContact CG2-CG 4.35Å; I111-F122 HydrophobicContact CD1-CE1 4.25Å; I111-F122 HydrophobicContact CG2-CD1 4.03Å; I111-F122 HydrophobicContact CG2-CE1 4.06Å; F122-V124 HydrophobicContact CD2-CG2 4.32Å; F122-V124 HydrophobicContact CE2-CG2 4.42Å; F122-N421 PolarHBondContact O-OD1 3.25Å; F122-I422 HydrophobicContact CD2-CB 4.15Å; F122-I422 HydrophobicContact CE2-CB 3.73Å; F122-I422 HydrophobicContact CE2-CD1 4.21Å; F122-I422 HydrophobicContact CE2-CG1 4.48Å; F122-I422 HydrophobicContact CE2-CG2 3.89Å; F122-I422 HydrophobicContact CZ-CB 4.09Å; F122-I422 HydrophobicContact CZ-CG2 3.8Å; F122-I422 PolarHBondContact N-O 3.3Å; F122-I422 PolarHBondContact O-N 3.1Å; F122-V424 HydrophobicContact CE1-CG2 3.83Å; F122-V424 HydrophobicContact CZ-CG2 3.89Å; F122-M440 HydrophobicContact CZ-CE 4.45Å; F122-I453 HydrophobicContact CE1-CG2 4.35Å; F122-I453 HydrophobicContact CE2-CD1 4.37Å; F122-I453 HydrophobicContact CE2-CG1 3.87Å; F122-I453 HydrophobicContact CZ-CD1 4.49Å; F122-I453 HydrophobicContact CZ-CG1 3.79Å; F122-I453 HydrophobicContact CZ-CG2 4.09Å
123	V	94.6	Very high	84.1	Confident	68 Å²	68	41.1 Å²	41.1	41%	0.412	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.9	-175.9	178.2	0	0	0	0	110.5	P106 Y419 F420	P106-V123 WeakPolarHBondContact CD-O 3.46Å; V123-Y419 HydrophobicContact CG1-CD1 3.85Å; V123-Y419 HydrophobicContact CG1-CG 4.3Å; V123-F420 WeakPolarHBondContact CA-O 3.02Å
124	V	94.8	Very high	84.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.1	169	178.6	0	0	0	0	108.9	V104 I109 F122 V126 Y419 F420 I422 V442 T451	V104-V124 HydrophobicContact CG1-CG1 3.95Å; I109-V124 HydrophobicContact CD1-CG2 4.47Å; F122-V124 HydrophobicContact CD2-CG2 4.32Å; F122-V124 HydrophobicContact CE2-CG2 4.42Å; V124-V126 HydrophobicContact CG1-CG2 4.3Å; V124-Y419 CarbonylContact O-C 3.57Å; V124-Y419 WeakPolarHBondContact O-CA 3.39Å; V124-F420 PolarHBondContact N-O 3.23Å; V124-F420 PolarHBondContact O-N 2.96Å; V124-I422 HydrophobicContact CB-CD1 4.26Å; V124-I422 HydrophobicContact CG2-CD1 3.77Å; V124-V442 HydrophobicContact CG1-CG1 4.4Å; V124-V442 HydrophobicContact CG2-CG1 4.35Å; V124-T451 WeakPolarHBondContact CG1-OG1 3.36Å; V124-T451 HydrophobicContact CG2-CG2 4.19Å
125	A	94.1	Very high	84.8	Confident	21 Å²	21	40.4 Å²	40.4	17%	0.174	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.4	176.1	0	0	0	0	0	110.3	V104 S105 T417 V418 Y419	V104-A125 WeakPolarHBondContact CA-O 3.35Å; S105-A125 PolarHBondContact N-O 3.09Å; S105-A125 PolarHBondContact O-N 3.19Å; A125-T417 HydrophobicContact CB-CG2 3.91Å; A125-V418 WeakPolarHBondContact CA-O 3.42Å; A125-Y419 HydrophobicContact CB-CD1 3.75Å; A125-Y419 HydrophobicContact CB-CE1 3.76Å
126	V	92.9	Very high	85.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	115.5	178.6	-176.6	0	0	0	0	108.7	Q103 V124 V376 V378 T417 V418 F420 P444 Y447	Q103-V126 WeakPolarHBondContact O-CA 2.95Å; V124-V126 HydrophobicContact CG1-CG2 4.3Å; V126-V376 HydrophobicContact CB-CG1 4.1Å; V126-V376 HydrophobicContact CG1-CG1 3.72Å; V126-V378 HydrophobicContact CG2-CG1 4.26Å; V126-T417 WeakPolarHBondContact O-CA 3.19Å; V126-V418 PolarHBondContact N-O 3.16Å; V126-V418 PolarHBondContact O-N 3.32Å; V126-F420 HydrophobicContact CB-CE2 4.1Å; V126-F420 HydrophobicContact CG2-CD2 3.84Å; V126-F420 HydrophobicContact CG2-CE2 3.76Å; V126-P444 HydrophobicContact CG1-CB 3.86Å; V126-P444 HydrophobicContact CG1-CG 4.15Å; V126-P444 HydrophobicContact CG2-CB 4.05Å; V126-P444 HydrophobicContact CG2-CG 3.58Å; V126-Y447 HydrophobicContact CG1-CE1 3.86Å; V126-Y447 HydrophobicContact CG1-CE2 3.86Å; V126-Y447 VanDerWaalsContact CG1-CZ 3.44Å; V126-Y447 WeakPolarHBondContact CG1-OH 3.3Å
127	K	90.2	Very high	87.5	Confident	94 Å²	94	37.9 Å²	37.9	41%	0.409	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	123	179.3	-173.4	-179.2	-179.4	-178.5	0	110.3	Q103 L129 Y447	Q103-K127 PolarHBondContact O-N 3.35Å; K127-L129 PolarHBondContact O-N 3.19Å; K127-Y447 WeakPolarHBondContact O-CE1 3.38Å; K127-Y447 PolarHBondContact O-OH 3.23Å
128	Q	87.8	Confident	89.2	Confident	3 Å²	3	35.4 Å²	35.4	1%	0.014	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-66.8	129.3	176.1	-161.1	-72.2	-3.9	0	0	109.8	Y132 L373 V376 V412 G415 Q416	Q128-Y132 WeakPolarHBondContact CA-OH 3.49Å; Q128-L373 PolarHBondContact NE2-O 3.14Å; Q128-V376 HydrophobicContact CB-CG2 4.39Å; Q128-V376 HydrophobicContact CG-CG2 4.13Å; Q128-V412 HydrophobicContact CB-CG1 3.88Å; Q128-V412 HydrophobicContact CG-CB 4.49Å; Q128-V412 HydrophobicContact CG-CG1 3.98Å; Q128-G415 WeakPolarHBondContact O-CA 3.46Å; Q128-G415 PolarHBondContact O-N 2.82Å; Q128-G415 VanDerWaalsContact O-N 3.13Å; Q128-Q416 WeakPolarHBondContact CB-O 3.48Å; Q128-Q416 PolarHBondContact N-O 3.16Å
129	L	79.1	Confident	90.2	Very high	36 Å²	36	35.2 Å²	35.2	19%	0.188	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-91.1	148	175.8	-52.2	174.5	0	0	0	113.7	Q103 K127 R131 Y132 Y447	Q103-L129 HydrophobicContact CB-CD2 4.43Å; Q103-L129 HydrophobicContact CG-CD1 4.45Å; Q103-L129 HydrophobicContact CG-CD2 3.9Å; K127-L129 PolarHBondContact O-N 3.19Å; L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.4Å; L129-Y132 HydrophobicContact CB-CD2 4.14Å; L129-Y132 HydrophobicContact CB-CE1 4.17Å; L129-Y132 HydrophobicContact CB-CE2 3.72Å; L129-Y132 HydrophobicContact CD1-CD1 4.22Å; L129-Y132 HydrophobicContact CD1-CE1 3.93Å; L129-Y132 HydrophobicContact CG-CE1 4.15Å; L129-Y132 PolarHBondContact N-OH 3.36Å; L129-Y132 WeakPolarHBondContact O-CE2 3.43Å; L129-Y447 HydrophobicContact CD1-CD1 4.49Å; L129-Y447 HydrophobicContact CD1-CE1 4.42Å; L129-Y447 HydrophobicContact CG-CE1 4.26Å
130	E	76.3	Confident	90.5	Very high	150 Å²	150	30.2 Å²	30.2	70%	0.701	15%	0.151	S	C	*	.	S	Bend	trans	-70.6	-28.3	176.4	-164.2	175.4	-177.1	0	0	113.1
131	R	76.8	Confident	90.8	Very high	157 Å²	157	30.1 Å²	30.1	59%	0.592	15%	0.151	S	C	*	.	S	Bend	trans	-137.3	124.4	-179.9	-59.8	-178.3	-174.4	-179	0.6	110.2	L129	L129-R131 VanDerWaalsContact C-N 3.32Å; L129-R131 PolarHBondContact O-N 3.4Å
132	Y	78.1	Confident	90.9	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.012	13%	0.132	C	C	.	.			trans	-111.7	150.9	175.9	-72.3	-98.3	0	0	0	111.2	Q128 L129 V134 T168 K264 L373 G446 Y447	Q128-Y132 WeakPolarHBondContact CA-OH 3.49Å; L129-Y132 HydrophobicContact CB-CD2 4.14Å; L129-Y132 HydrophobicContact CB-CE1 4.17Å; L129-Y132 HydrophobicContact CB-CE2 3.72Å; L129-Y132 HydrophobicContact CD1-CD1 4.22Å; L129-Y132 HydrophobicContact CD1-CE1 3.93Å; L129-Y132 HydrophobicContact CG-CE1 4.15Å; L129-Y132 PolarHBondContact N-OH 3.36Å; L129-Y132 WeakPolarHBondContact O-CE2 3.43Å; Y132-V134 WeakPolarHBondContact O-CG2 2.98Å; Y132-T168 WeakPolarHBondContact O-CB 3.34Å; Y132-T168 PolarHBondContact O-OG1 2.74Å; Y132-K264 HydrophobicContact CD1-CG 4.36Å; Y132-K264 HydrophobicContact CG-CG 4.29Å; Y132-L373 HydrophobicContact CD2-CD2 3.27Å; Y132-L373 HydrophobicContact CD2-CG 4.41Å; Y132-L373 HydrophobicContact CE2-CD2 3.88Å; Y132-L373 HydrophobicContact CG-CD2 3.95Å; Y132-G446 WeakPolarHBondContact CD1-O 3.39Å; Y132-Y447 HydrophobicContact CE1-CD1 4.2Å; Y132-Y447 HydrophobicContact CE1-CD2 4.19Å; Y132-Y447 AromaticContact CE1-CE1 3.81Å; Y132-Y447 HydrophobicContact CE1-CE1 3.81Å; Y132-Y447 AromaticContact CE1-CE2 3.81Å; Y132-Y447 HydrophobicContact CE1-CE2 3.81Å; Y132-Y447 HydrophobicContact CE1-CG 4.4Å; Y132-Y447 AromaticContact CE1-CZ 3.64Å; Y132-Y447 AromaticContact CZ-CZ 3.81Å; Y132-Y447 PolarHBondContact OH-OH 2.91Å
133	P	88.3	Confident	90.9	Very high	32 Å²	32	27 Å²	27	21%	0.208	13%	0.13	C	C	.	.			trans	-56.9	137.6	161.3	-20.6	33.3	0	0	0	110.4	D170 A263 K264	P133-D170 WeakPolarHBondContact CA-O 2.85Å; P133-D170 HydrophobicContact CB-CB 4.16Å; P133-D170 WeakPolarHBondContact CB-OD2 3.4Å; P133-D170 HydrophobicContact CG-CB 4.46Å; P133-A263 HydrophobicContact CB-CB 3.95Å; P133-A263 WeakPolarHBondContact O-CA 3.2Å; P133-K264 PolarHBondContact O-N 2.92Å
134	V	90.7	Very high	90.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.5	-179	-175.7	0	0	0	0	109.9	Y132 T168 D170 L171 W172 R260 K264 L266 Y369	Y132-V134 WeakPolarHBondContact O-CG2 2.98Å; V134-T168 HydrophobicContact CB-CG2 4.12Å; V134-T168 HydrophobicContact CG2-CG2 3.85Å; V134-D170 PolarHBondContact N-O 2.74Å; V134-L171 HydrophobicContact CB-CD1 4.22Å; V134-L171 HydrophobicContact CG1-CD1 4.33Å; V134-L171 WeakPolarHBondContact O-CA 3.4Å; V134-W172 PolarHBondContact O-N 3.11Å; V134-R260 PolarHBondContact O-NH2 3.48Å; V134-K264 WeakPolarHBondContact CA-O 3.41Å; V134-L266 HydrophobicContact CG1-CD1 4.08Å; V134-Y369 HydrophobicContact CB-CE2 4.49Å; V134-Y369 HydrophobicContact CG1-CD2 4.48Å; V134-Y369 HydrophobicContact CG2-CD2 3.7Å; V134-Y369 HydrophobicContact CG2-CE2 3.12Å
135	D	94.7	Very high	90.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.7	166.6	-68.6	-0	0	0	0	108	W172 M217 W259 R260 A263 K264 L266	D135-W172 WeakPolarHBondContact CA-O 3.1Å; D135-M217 HydrophobicContact CB-CE 3.86Å; D135-M217 HydrophobicContact CB-SD 4.28Å; D135-W259 HydrophobicContact CB-CE3 3.57Å; D135-W259 HydrophobicContact CB-CZ3 3.55Å; D135-R260 IonicContact OD1-CZ 2.86Å; D135-R260 IonicContact OD1-NE 4Å; D135-R260 PolarHBondContact OD1-NE 2.86Å; D135-R260 IonicContact OD1-NH2 2.65Å; D135-R260 PolarHBondContact OD1-NH2 3.04Å; D135-R260 WeakPolarHBondContact OD2-CB 3.42Å; D135-R260 PolarHBondContact OD2-N 3.06Å; D135-R260 IonicContact OD2-NE 2.71Å; D135-A263 HydrophobicContact CB-CB 4.4Å; D135-A263 WeakPolarHBondContact OD1-CB 3.4Å; D135-K264 PolarHBondContact N-O 2.04Å; D135-L266 PolarHBondContact O-N 3.43Å
136	L	96.1	Very high	90.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109.3	177.7	175.9	63	0	0	0	109.6	Y138 L171 W172 L173 G174 L266 L268 V365	L136-Y138 HydrophobicContact CD2-CE2 3.63Å; L136-Y138 HydrophobicContact CG-CD2 4.24Å; L136-Y138 HydrophobicContact CG-CE2 3.74Å; L136-L171 HydrophobicContact CB-CD1 4.38Å; L136-W172 PolarHBondContact N-O 2.95Å; L136-L173 HydrophobicContact CB-CD2 4.13Å; L136-L173 HydrophobicContact CD2-CD2 4.28Å; L136-L173 HydrophobicContact CG-CD2 4.48Å; L136-L173 WeakPolarHBondContact O-CA 3.29Å; L136-G174 PolarHBondContact O-N 2.74Å; L136-G174 VanDerWaalsContact O-N 3.1Å; L136-L266 WeakPolarHBondContact CA-O 3.46Å; L136-L266 HydrophobicContact CD1-CB 3.72Å; L136-L268 HydrophobicContact CD1-CB 4.11Å; L136-V365 HydrophobicContact CD1-CG1 4.34Å; L136-V365 HydrophobicContact CD2-CG1 4.04Å
137	Y	97.8	Very high	90.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.2	177.5	-164.5	-99.3	0	0	0	110.8	L139 F175 G176 H213 M217 A250 V257 W259 L266 L268	Y137-L139 HydrophobicContact CD1-CB 4.22Å; Y137-L139 HydrophobicContact CE1-CB 4.3Å; Y137-L139 HydrophobicContact CE1-CD1 4.05Å; Y137-F175 PolarHBondContact OH-O 2.87Å; Y137-G176 VanDerWaalsContact OH-CA 3.31Å; Y137-G176 WeakPolarHBondContact OH-CA 2.97Å; Y137-G176 PolarHBondContact OH-N 3.44Å; Y137-H213 AromaticContact CE2-CE1 3.88Å; Y137-H213 AromaticContact CE2-ND1 3.75Å; Y137-H213 AromaticContact CZ-ND1 3.74Å; Y137-H213 PolarHBondContact OH-ND1 2.95Å; Y137-M217 HydrophobicContact CD2-CE 3.79Å; Y137-M217 HydrophobicContact CD2-SD 4.38Å; Y137-M217 HydrophobicContact CG-CE 4.2Å; Y137-A250 HydrophobicContact CD1-CB 4.22Å; Y137-A250 HydrophobicContact CE1-CB 3.88Å; Y137-V257 HydrophobicContact CD2-CG1 3.59Å; Y137-V257 HydrophobicContact CE2-CG1 3.59Å; Y137-V257 HydrophobicContact CE2-CG2 4.41Å; Y137-V257 HydrophobicContact CG-CG1 4.39Å; Y137-W259 HydrophobicContact CG-CH2 4.34Å; Y137-W259 HydrophobicContact CG-CZ2 4.09Å; Y137-L266 PolarHBondContact N-O 3.31Å; Y137-L268 PolarHBondContact O-N 2.87Å
138	Y	96.9	Very high	90.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.4	173.5	-72.7	-106.7	0	0	0	108.8	L136 L160 L173 G174 F175 G176 F224 L268 M270	L136-Y138 HydrophobicContact CD2-CE2 3.63Å; L136-Y138 HydrophobicContact CG-CD2 4.24Å; L136-Y138 HydrophobicContact CG-CE2 3.74Å; Y138-L160 HydrophobicContact CE1-CD2 3.98Å; Y138-L160 WeakPolarHBondContact OH-CD2 3.49Å; Y138-L160 WeakPolarHBondContact OH-CG 3.43Å; Y138-L173 HydrophobicContact CE2-CD2 4.06Å; Y138-G174 PolarHBondContact N-O 3.36Å; Y138-F175 CarbonylContact O-C 3.54Å; Y138-F175 WeakPolarHBondContact O-CA 2.94Å; Y138-G176 PolarHBondContact O-N 2.87Å; Y138-F224 HydrophobicContact CD1-CZ 4.41Å; Y138-F224 AromaticContact CD2-CE2 3.72Å; Y138-F224 HydrophobicContact CD2-CE2 3.72Å; Y138-F224 AromaticContact CD2-CZ 3.56Å; Y138-F224 HydrophobicContact CD2-CZ 3.56Å; Y138-F224 HydrophobicContact CE1-CZ 4.42Å; Y138-F224 HydrophobicContact CE2-CE1 4.4Å; Y138-F224 HydrophobicContact CE2-CE2 4.1Å; Y138-F224 AromaticContact CE2-CZ 3.58Å; Y138-F224 HydrophobicContact CE2-CZ 3.58Å; Y138-F224 HydrophobicContact CG-CE2 4.26Å; Y138-F224 AromaticContact CG-CZ 3.99Å; Y138-F224 HydrophobicContact CG-CZ 3.99Å; Y138-L268 HydrophobicContact CD1-CD2 3.79Å; Y138-L268 HydrophobicContact CE1-CD2 3.67Å; Y138-M270 HydrophobicContact CD1-SD 4.1Å
139	L	97.5	Very high	90.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	104.4	174	-173.1	67.4	0	0	0	108.9	Y137 F178 F211 A246 M247 L267 L268 L269 M270	Y137-L139 HydrophobicContact CD1-CB 4.22Å; Y137-L139 HydrophobicContact CE1-CB 4.3Å; Y137-L139 HydrophobicContact CE1-CD1 4.05Å; L139-F178 HydrophobicContact CD1-CD1 4.06Å; L139-F178 HydrophobicContact CD2-CD1 4.5Å; L139-F178 HydrophobicContact CG-CD1 3.82Å; L139-F178 HydrophobicContact CG-CE1 3.98Å; L139-F211 HydrophobicContact CD1-CD2 3.88Å; L139-F211 HydrophobicContact CD1-CE2 3.49Å; L139-F211 VanDerWaalsContact CD1-CE2 3.49Å; L139-F211 HydrophobicContact CD1-CZ 4.49Å; L139-A246 HydrophobicContact CD1-CB 3.92Å; L139-A246 HydrophobicContact CD2-CB 3.93Å; L139-A246 HydrophobicContact CG-CB 4.32Å; L139-M247 HydrophobicContact CD2-CB 4.19Å; L139-M247 HydrophobicContact CD2-CG 3.55Å; L139-L267 HydrophobicContact CB-CD2 4.25Å; L139-L267 HydrophobicContact CD2-CD2 4.13Å; L139-L268 PolarHBondContact N-O 2.97Å; L139-L269 HydrophobicContact CB-CD1 4.44Å; L139-L269 HydrophobicContact CD2-CD1 3.74Å; L139-L269 HydrophobicContact CG-CD1 4.06Å; L139-L269 CarbonylContact O-C 3.57Å; L139-L269 WeakPolarHBondContact O-CA 3.45Å; L139-M270 PolarHBondContact O-N 3.45Å
140	V	95.7	Very high	90.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.7	-163.2	-175.3	0	0	0	0	111	V142 M146 L150 L153 F175 G176 S177 F178 M270	V140-V142 PolarHBondContact O-N 3.24Å; V140-M146 HydrophobicContact CG1-CE 4.48Å; V140-L150 HydrophobicContact CG1-CD2 3.68Å; V140-L153 HydrophobicContact CB-CD2 4.47Å; V140-L153 HydrophobicContact CG1-CD2 3.73Å; V140-L153 HydrophobicContact CG2-CD2 3.89Å; V140-F175 HydrophobicContact CB-CE2 3.98Å; V140-F175 HydrophobicContact CB-CZ 3.94Å; V140-F175 HydrophobicContact CG2-CD2 4.33Å; V140-F175 HydrophobicContact CG2-CE2 3.52Å; V140-F175 HydrophobicContact CG2-CZ 4.03Å; V140-G176 PolarHBondContact N-O 2.85Å; V140-S177 WeakPolarHBondContact O-CA 3.33Å; V140-F178 VanDerWaalsContact C-CE1 3.45Å; V140-F178 PolarHBondContact O-N 2.59Å; V140-F178 VanDerWaalsContact O-N 3.12Å; V140-M270 HydrophobicContact CG1-CB 4.48Å; V140-M270 HydrophobicContact CG2-CB 4.42Å; V140-M270 HydrophobicContact CG2-CG 4.41Å; V140-M270 HydrophobicContact CG2-SD 3.98Å
141	D	95.9	Very high	91.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	123.3	166.9	-174.8	-9.1	0	0	0	109.8	S143 M146 F178 M270 T271	D141-S143 WeakPolarHBondContact OD1-CB 3.47Å; D141-S143 PolarHBondContact OD1-N 3.29Å; D141-S143 PolarHBondContact OD1-OG 3.03Å; D141-M146 HydrophobicContact CB-CE 4.3Å; D141-M146 HydrophobicContact CB-CG 3.85Å; D141-M146 HydrophobicContact CB-SD 4.47Å; D141-M146 WeakPolarHBondContact O-CB 3.41Å; D141-M146 WeakPolarHBondContact O-CG 3.33Å; D141-F178 HydrophobicContact CB-CE1 4.14Å; D141-F178 HydrophobicContact CB-CE2 3.8Å; D141-F178 HydrophobicContact CB-CZ 3.57Å; D141-F178 VanDerWaalsContact N-CE1 3.28Å; D141-M270 WeakPolarHBondContact CB-O 3.45Å; D141-M270 PolarHBondContact N-O 3.27Å; D141-T271 PolarHBondContact OD2-OG1 3.23Å
142	V	96	Very high	91.5	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.012	13%	0.13	C	C	.	.			trans	-114.7	22.5	177.5	-58.9	0	0	0	0	112.4	V140 L150 F178 V179 I233 S234	V140-V142 PolarHBondContact O-N 3.24Å; V142-L150 HydrophobicContact CB-CD1 4.21Å; V142-L150 HydrophobicContact CG1-CD1 4.14Å; V142-L150 HydrophobicContact CG1-CD2 4.17Å; V142-F178 PolarHBondContact N-O 2.92Å; V142-V179 HydrophobicContact CG2-CG2 3.66Å; V142-I233 CarbonylContact O-C 3.44Å; V142-I233 VanDerWaalsContact O-CA 3.3Å; V142-I233 WeakPolarHBondContact O-CA 3.45Å; V142-S234 PolarHBondContact O-N 3.29Å
143	S	94.9	Very high	91.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-56.9	169.7	168.6	70.3	0	0	0	0	111.9	D141 S145 M146 S234	D141-S143 WeakPolarHBondContact OD1-CB 3.47Å; D141-S143 PolarHBondContact OD1-N 3.29Å; D141-S143 PolarHBondContact OD1-OG 3.03Å; S143-S145 VanDerWaalsContact C-N 3.32Å; S143-S145 PolarHBondContact O-N 2.94Å; S143-S145 PolarHBondContact OG-OG 3.09Å; S143-S145 VanDerWaalsContact OG-OG 3.07Å; S143-M146 PolarHBondContact O-N 3.24Å; S143-S234 CarbonylContact C-O 3.52Å
144	A	93	Very high	91.5	Very high	42 Å²	42	24.7 Å²	24.7	35%	0.347	13%	0.13	S	C	.	.	S	Bend	trans	-69.8	-30.9	-175.5	0	0	0	0	0	112.5	M146 Q147 S234 A235	A144-M146 PolarHBondContact O-N 3.11Å; A144-Q147 WeakPolarHBondContact O-CB 3.45Å; A144-Q147 PolarHBondContact O-N 2.02Å; A144-S234 WeakPolarHBondContact CA-O 3.39Å; A144-S234 PolarHBondContact N-O 3.42Å; A144-A235 HydrophobicContact CB-CB 4.02Å
145	S	91.4	Very high	91.2	Very high	52 Å²	52	29.7 Å²	29.7	36%	0.364	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.5	176.1	53.3	0	0	0	0	111.6	S143 Q147 D272	S143-S145 VanDerWaalsContact C-N 3.32Å; S143-S145 PolarHBondContact O-N 2.94Å; S143-S145 PolarHBondContact OG-OG 3.09Å; S143-S145 VanDerWaalsContact OG-OG 3.07Å; S145-Q147 PolarHBondContact O-N 3.14Å; S145-Q147 VanDerWaalsContact O-N 3.13Å; S145-D272 WeakPolarHBondContact CB-OD2 3.39Å; S145-D272 VanDerWaalsContact OG-CG 3.3Å; S145-D272 PolarHBondContact OG-OD1 3.34Å; S145-D272 PolarHBondContact OG-OD2 2.89Å; S145-D272 VanDerWaalsContact OG-OD2 3.04Å
146	M	91.6	Very high	90.7	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	2.9	178.9	-72.8	-69.6	-69.9	0	0	115.1	V140 D141 S143 A144 E148 N149 L150 D272 F356	V140-M146 HydrophobicContact CG1-CE 4.48Å; D141-M146 HydrophobicContact CB-CE 4.3Å; D141-M146 HydrophobicContact CB-CG 3.85Å; D141-M146 HydrophobicContact CB-SD 4.47Å; D141-M146 WeakPolarHBondContact O-CB 3.41Å; D141-M146 WeakPolarHBondContact O-CG 3.33Å; S143-M146 PolarHBondContact O-N 3.24Å; A144-M146 PolarHBondContact O-N 3.11Å; M146-E148 PolarHBondContact O-N 3.27Å; M146-N149 HydrophobicContact CE-CB 3.8Å; M146-N149 PolarHBondContact O-N 3.03Å; M146-N149 VanDerWaalsContact O-N 3.16Å; M146-N149 HydrophobicContact SD-CB 3.87Å; M146-N149 PolarHBondContact SD-ND2 3.43Å; M146-L150 HydrophobicContact CB-CG 4.36Å; M146-L150 WeakPolarHBondContact O-CB 3.13Å; M146-L150 WeakPolarHBondContact O-CG 3.5Å; M146-L150 PolarHBondContact O-N 2.7Å; M146-D272 PolarHBondContact N-OD2 3.04Å; M146-D272 HydrophobicContact SD-CB 3.84Å; M146-F356 HydrophobicContact CE-CE2 3.83Å; M146-F356 HydrophobicContact CE-CZ 4Å; M146-F356 HydrophobicContact SD-CE2 4.01Å; M146-F356 HydrophobicContact SD-CZ 4.46Å
147	Q	89.7	Confident	89.9	Confident	73 Å²	73	30.1 Å²	30.1	34%	0.341	16%	0.163	S	C	.	.	H	α-helix	trans	-53.1	-52.4	-176.7	177.1	61.2	54	0	0	113.2	A144 S145 N149 L150 D151 I233	A144-Q147 WeakPolarHBondContact O-CB 3.45Å; A144-Q147 PolarHBondContact O-N 2.02Å; S145-Q147 PolarHBondContact O-N 3.14Å; S145-Q147 VanDerWaalsContact O-N 3.13Å; Q147-N149 VanDerWaalsContact C-N 3.33Å; Q147-N149 PolarHBondContact O-N 3.42Å; Q147-L150 PolarHBondContact O-N 3.18Å; Q147-D151 PolarHBondContact NE2-OD2 2.8Å; Q147-D151 PolarHBondContact O-N 3.21Å; Q147-I233 HydrophobicContact CB-CG2 4.01Å; Q147-I233 VanDerWaalsContact OE1-CD1 3.27Å
148	E	87.6	Confident	89.2	Confident	121 Å²	121	31.6 Å²	31.6	57%	0.565	17%	0.172	S	C	*	.	H	α-helix	trans	-65.1	-40.5	179.8	-64.7	-170.6	176.9	0	0	111.3	M146 D151 H152 L355	M146-E148 PolarHBondContact O-N 3.27Å; E148-D151 PolarHBondContact O-N 2.9Å; E148-H152 PolarHBondContact O-N 3.29Å; E148-H152 PolarHBondContact O-ND1 2Å; E148-L355 HydrophobicContact CB-CD2 4.41Å
149	N	86.8	Confident	88.7	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.027	19%	0.189	C	C	.	.	H	α-helix	trans	-65	-40.7	-179.4	-68.3	-27.3	0	0	0	111.8	M146 Q147 H152 L153 F356	M146-N149 HydrophobicContact CE-CB 3.8Å; M146-N149 PolarHBondContact O-N 3.03Å; M146-N149 VanDerWaalsContact O-N 3.16Å; M146-N149 HydrophobicContact SD-CB 3.87Å; M146-N149 PolarHBondContact SD-ND2 3.43Å; Q147-N149 VanDerWaalsContact C-N 3.33Å; Q147-N149 PolarHBondContact O-N 3.42Å; N149-H152 PolarHBondContact O-N 2.85Å; N149-L153 VanDerWaalsContact O-CB 3.28Å; N149-L153 WeakPolarHBondContact O-CB 2.97Å; N149-L153 PolarHBondContact O-N 2.78Å; N149-F356 HydrophobicContact CB-CD2 3.43Å; N149-F356 VanDerWaalsContact CB-CD2 3.43Å; N149-F356 HydrophobicContact CB-CE2 3.7Å; N149-F356 HydrophobicContact CB-CG 4.45Å; N149-F356 VanDerWaalsContact CG-CE2 3.48Å; N149-F356 WeakPolarHBondContact ND2-CE2 3.45Å; N149-F356 WeakPolarHBondContact OD1-CD2 3.07Å
150	L	87.6	Confident	88.3	Confident	8 Å²	8	33.6 Å²	33.6	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-39.2	175	-76.2	177	0	0	0	112.5	V140 V142 M146 Q147 H152 L153 K154 I233	V140-L150 HydrophobicContact CG1-CD2 3.68Å; V142-L150 HydrophobicContact CB-CD1 4.21Å; V142-L150 HydrophobicContact CG1-CD1 4.14Å; V142-L150 HydrophobicContact CG1-CD2 4.17Å; M146-L150 HydrophobicContact CB-CG 4.36Å; M146-L150 WeakPolarHBondContact O-CB 3.13Å; M146-L150 WeakPolarHBondContact O-CG 3.5Å; M146-L150 PolarHBondContact O-N 2.7Å; Q147-L150 PolarHBondContact O-N 3.18Å; L150-H152 VanDerWaalsContact C-N 3.33Å; L150-H152 PolarHBondContact O-N 3.28Å; L150-L153 HydrophobicContact CD2-CD2 4.38Å; L150-L153 PolarHBondContact O-N 2.84Å; L150-K154 WeakPolarHBondContact O-CG 3.41Å; L150-K154 PolarHBondContact O-N 3.07Å; L150-K154 VanDerWaalsContact O-N 3.08Å; L150-I233 HydrophobicContact CD1-CG2 3.65Å
151	D	86.8	Confident	87.8	Confident	72 Å²	72	33.6 Å²	33.6	39%	0.385	19%	0.189	S	C	.	.	H	α-helix	trans	-65.2	-38.4	178.1	-74.3	-30.1	0	0	0	111.8	Q147 E148 K154	Q147-D151 PolarHBondContact NE2-OD2 2.8Å; Q147-D151 PolarHBondContact O-N 3.21Å; E148-D151 PolarHBondContact O-N 2.9Å; D151-K154 IonicContact OD1-NZ 2.8Å; D151-K154 PolarHBondContact OD1-NZ 3.37Å
152	H	84.4	Confident	87.4	Confident	90 Å²	90	37.8 Å²	37.8	42%	0.417	21%	0.211	S	C	.	.	H	α-helix	trans	-66.8	-43.6	170.6	-70.6	85	0	0	0	111.8	E148 N149 L150 K154 T155 V156	E148-H152 PolarHBondContact O-N 3.29Å; E148-H152 PolarHBondContact O-ND1 2Å; N149-H152 PolarHBondContact O-N 2.85Å; L150-H152 VanDerWaalsContact C-N 3.33Å; L150-H152 PolarHBondContact O-N 3.28Å; H152-K154 PolarHBondContact O-N 3.38Å; H152-T155 PolarHBondContact O-N 3.46Å; H152-V156 WeakPolarHBondContact O-CG2 3.3Å; H152-V156 PolarHBondContact O-N 3.3Å
153	L	83.4	Confident	87.2	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-30.8	-177.1	-172.7	58.7	0	0	0	113	V140 N149 L150 T155 V156 G157 M228 M270 L361	V140-L153 HydrophobicContact CB-CD2 4.47Å; V140-L153 HydrophobicContact CG1-CD2 3.73Å; V140-L153 HydrophobicContact CG2-CD2 3.89Å; N149-L153 VanDerWaalsContact O-CB 3.28Å; N149-L153 WeakPolarHBondContact O-CB 2.97Å; N149-L153 PolarHBondContact O-N 2.78Å; L150-L153 HydrophobicContact CD2-CD2 4.38Å; L150-L153 PolarHBondContact O-N 2.84Å; L153-T155 PolarHBondContact O-N 2.94Å; L153-T155 VanDerWaalsContact O-N 3.12Å; L153-V156 PolarHBondContact O-N 3.15Å; L153-G157 WeakPolarHBondContact O-CA 3.37Å; L153-G157 PolarHBondContact O-N 3.34Å; L153-M228 HydrophobicContact CD1-CE 4.28Å; L153-M228 HydrophobicContact CD2-CE 3.65Å; L153-M228 HydrophobicContact CG-CE 3.47Å; L153-M228 VanDerWaalsContact CG-CE 3.47Å; L153-M270 HydrophobicContact CD1-CE 3.58Å; L153-M270 HydrophobicContact CD1-SD 3.92Å; L153-M270 HydrophobicContact CD2-CE 4.08Å; L153-M270 HydrophobicContact CD2-SD 3.94Å; L153-M270 HydrophobicContact CG-CE 4.4Å; L153-L361 HydrophobicContact CD1-CD2 4.27Å
154	K	84.1	Confident	86.9	Confident	50 Å²	50	42.8 Å²	42.8	22%	0.217	23%	0.23	C	C	.	.	H	α-helix	trans	-56.9	-26	172.6	-70.2	168.3	-170.6	161.3	0	113.2	L150 D151 H152	L150-K154 WeakPolarHBondContact O-CG 3.41Å; L150-K154 PolarHBondContact O-N 3.07Å; L150-K154 VanDerWaalsContact O-N 3.08Å; D151-K154 IonicContact OD1-NZ 2.8Å; D151-K154 PolarHBondContact OD1-NZ 3.37Å; H152-K154 PolarHBondContact O-N 3.38Å
155	T	83.8	Confident	86.6	Confident	105 Å²	105	43.7 Å²	43.7	64%	0.644	23%	0.231	S	C	*	.	H	α-helix	trans	-100.2	-49.3	176.9	-52.7	0	0	0	0	111.1	H152 L153 G157 V158 A159	H152-T155 PolarHBondContact O-N 3.46Å; L153-T155 PolarHBondContact O-N 2.94Å; L153-T155 VanDerWaalsContact O-N 3.12Å; T155-G157 PolarHBondContact O-N 2.04Å; T155-V158 PolarHBondContact O-N 3.33Å; T155-A159 PolarHBondContact O-N 2.62Å
156	V	83	Confident	86.5	Confident	8 Å²	8	47 Å²	47	5%	0.048	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-39.2	-176.8	179.2	0	0	0	0	112.1	H152 L153 V158 A159 L160 A358 L361	H152-V156 WeakPolarHBondContact O-CG2 3.3Å; H152-V156 PolarHBondContact O-N 3.3Å; L153-V156 PolarHBondContact O-N 3.15Å; V156-V158 VanDerWaalsContact C-N 3.28Å; V156-V158 PolarHBondContact O-N 3.47Å; V156-A159 PolarHBondContact O-N 2.99Å; V156-A159 VanDerWaalsContact O-N 3.16Å; V156-L160 WeakPolarHBondContact O-CB 3.47Å; V156-L160 PolarHBondContact O-N 2.99Å; V156-A358 HydrophobicContact CB-CB 4.37Å; V156-A358 HydrophobicContact CG1-CB 4.06Å; V156-A358 HydrophobicContact CG2-CB 3.57Å; V156-L361 HydrophobicContact CG1-CB 4.35Å; V156-L361 HydrophobicContact CG1-CD2 3.84Å
157	G	79.8	Confident	86.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.5	-42.8	178.6	0	0	0	0	0	111.8	L153 T155 L160 S161	L153-G157 WeakPolarHBondContact O-CA 3.37Å; L153-G157 PolarHBondContact O-N 3.34Å; T155-G157 PolarHBondContact O-N 2.04Å; G157-L160 PolarHBondContact O-N 3.1Å; G157-S161 PolarHBondContact O-N 3Å; G157-S161 PolarHBondContact O-OG 3.08Å
158	V	82.6	Confident	86	Confident	31 Å²	31	46 Å²	46	19%	0.188	24%	0.236	C	C	.	.	H	α-helix	trans	-65.5	-44.5	176.8	-176.3	0	0	0	0	111.2	T155 V156 S161 L162 T225	T155-V158 PolarHBondContact O-N 3.33Å; V156-V158 VanDerWaalsContact C-N 3.28Å; V156-V158 PolarHBondContact O-N 3.47Å; V158-S161 PolarHBondContact O-N 3.16Å; V158-L162 HydrophobicContact CG1-CD1 4.24Å; V158-L162 WeakPolarHBondContact O-CG 2.94Å; V158-L162 PolarHBondContact O-N 3.32Å; V158-T225 HydrophobicContact CG2-CG2 3.62Å
159	A	88	Confident	85.7	Confident	42 Å²	42	45.1 Å²	45.1	35%	0.347	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-41.3	178.4	0	0	0	0	0	112.1	T155 V156 L162 R163 I362	T155-A159 PolarHBondContact O-N 2.62Å; V156-A159 PolarHBondContact O-N 2.99Å; V156-A159 VanDerWaalsContact O-N 3.16Å; A159-L162 PolarHBondContact O-N 2.77Å; A159-R163 WeakPolarHBondContact O-CB 3.28Å; A159-R163 PolarHBondContact O-N 3.05Å; A159-I362 HydrophobicContact CB-CD1 4.08Å
160	L	87.8	Confident	85.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-48.2	174.6	169	55.1	0	0	0	111.4	Y138 V156 G157 L162 R163 M164 L268 L361 I362 V365	Y138-L160 HydrophobicContact CE1-CD2 3.98Å; Y138-L160 WeakPolarHBondContact OH-CD2 3.49Å; Y138-L160 WeakPolarHBondContact OH-CG 3.43Å; V156-L160 WeakPolarHBondContact O-CB 3.47Å; V156-L160 PolarHBondContact O-N 2.99Å; G157-L160 PolarHBondContact O-N 3.1Å; L160-L162 VanDerWaalsContact C-N 3.3Å; L160-L162 PolarHBondContact O-N 3.11Å; L160-R163 PolarHBondContact O-N 2.97Å; L160-R163 VanDerWaalsContact O-N 3.11Å; L160-M164 HydrophobicContact CD1-CG 3.86Å; L160-M164 WeakPolarHBondContact O-CG 3.22Å; L160-M164 PolarHBondContact O-N 3.19Å; L160-L268 HydrophobicContact CD2-CD2 4.3Å; L160-L361 HydrophobicContact CD2-CD2 4.45Å; L160-L361 HydrophobicContact CD2-CG 4.23Å; L160-I362 HydrophobicContact CB-CG1 3.86Å; L160-I362 HydrophobicContact CD1-CG1 4.3Å; L160-V365 HydrophobicContact CD1-CB 3.77Å; L160-V365 HydrophobicContact CD1-CG1 3.89Å; L160-V365 HydrophobicContact CD1-CG2 4.32Å; L160-V365 HydrophobicContact CD2-CB 4.22Å; L160-V365 HydrophobicContact CD2-CG1 4.41Å; L160-V365 HydrophobicContact CD2-CG2 3.84Å
161	S	86.2	Confident	86.1	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-45.8	176.4	-58.8	0	0	0	0	111.6	G157 V158 M164 T165 L171 L173 F224	G157-S161 PolarHBondContact O-N 3Å; G157-S161 PolarHBondContact O-OG 3.08Å; V158-S161 PolarHBondContact O-N 3.16Å; S161-M164 PolarHBondContact O-N 3.15Å; S161-T165 WeakPolarHBondContact O-CG2 3.35Å; S161-T165 PolarHBondContact O-N 2.83Å; S161-L171 WeakPolarHBondContact O-CD2 3.32Å; S161-L173 WeakPolarHBondContact OG-CD1 3.41Å; S161-F224 WeakPolarHBondContact OG-CE1 3.23Å
162	L	87.7	Confident	86.5	Confident	88 Å²	88	48.6 Å²	48.6	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-40.3	176	-70.6	171.4	0	0	0	112.3	V158 A159 L160 M164 T165	V158-L162 HydrophobicContact CG1-CD1 4.24Å; V158-L162 WeakPolarHBondContact O-CG 2.94Å; V158-L162 PolarHBondContact O-N 3.32Å; A159-L162 PolarHBondContact O-N 2.77Å; L160-L162 VanDerWaalsContact C-N 3.3Å; L160-L162 PolarHBondContact O-N 3.11Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 3.29Å; L162-T165 PolarHBondContact O-N 2.89Å; L162-T165 PolarHBondContact O-OG1 3.06Å
163	R	90.1	Very high	87	Confident	108 Å²	108	44.3 Å²	44.3	41%	0.408	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-39.4	177.1	-174.4	59.8	165.8	176	-4	111.8	A159 L160 T165 Q166 H167 I362 V366	A159-R163 WeakPolarHBondContact O-CB 3.28Å; A159-R163 PolarHBondContact O-N 3.05Å; L160-R163 PolarHBondContact O-N 2.97Å; L160-R163 VanDerWaalsContact O-N 3.11Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 2.7Å; R163-Q166 WeakPolarHBondContact O-CB 3.38Å; R163-Q166 PolarHBondContact O-N 2.82Å; R163-Q166 VanDerWaalsContact O-N 3.11Å; R163-H167 PolarHBondContact O-CD2 3.07Å; R163-I362 HydrophobicContact CB-CG2 4.02Å; R163-I362 HydrophobicContact CG-CG2 3.62Å; R163-V366 HydrophobicContact CG-CG2 4.17Å
164	M	89.4	Confident	87.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.9	-32.4	177.7	-73.5	-59.2	-65.7	0	0	113	L160 S161 L162 Q166 H167 T168 L171 V365 V366 Y369	L160-M164 HydrophobicContact CD1-CG 3.86Å; L160-M164 WeakPolarHBondContact O-CG 3.22Å; L160-M164 PolarHBondContact O-N 3.19Å; S161-M164 PolarHBondContact O-N 3.15Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-M164 PolarHBondContact O-N 3.29Å; M164-Q166 PolarHBondContact O-N 2.69Å; M164-Q166 VanDerWaalsContact O-N 3.11Å; M164-H167 PolarHBondContact O-N 2.83Å; M164-T168 PolarHBondContact O-N 3.2Å; M164-L171 HydrophobicContact CB-CD1 4.25Å; M164-L171 HydrophobicContact CB-CD2 3.6Å; M164-V365 HydrophobicContact SD-CG1 4.13Å; M164-V366 HydrophobicContact SD-CG2 3.87Å; M164-Y369 HydrophobicContact CE-CD1 4.15Å; M164-Y369 HydrophobicContact CE-CD2 4.28Å; M164-Y369 HydrophobicContact CE-CG 3.83Å
165	T	87.2	Confident	88.3	Confident	60 Å²	60	41.8 Å²	41.8	37%	0.368	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-15.2	174.3	66.8	0	0	0	0	114.2	S161 L162 R163 H167 T168 L171 I221	S161-T165 WeakPolarHBondContact O-CG2 3.35Å; S161-T165 PolarHBondContact O-N 2.83Å; L162-T165 PolarHBondContact O-N 2.89Å; L162-T165 PolarHBondContact O-OG1 3.06Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 2.7Å; T165-H167 VanDerWaalsContact C-N 3.34Å; T165-T168 CarbonylContact C-O 3.53Å; T165-T168 WeakPolarHBondContact CA-O 2.96Å; T165-T168 VanDerWaalsContact O-O 3.05Å; T165-L171 HydrophobicContact CG2-CD2 3.94Å; T165-I221 HydrophobicContact CG2-CD1 3.82Å
166	Q	88.7	Confident	89	Confident	121 Å²	121	36.8 Å²	36.8	57%	0.565	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.8	174	-57.9	175.6	-0.1	0	0	112.1	R163 M164	R163-Q166 WeakPolarHBondContact O-CB 3.38Å; R163-Q166 PolarHBondContact O-N 2.82Å; R163-Q166 VanDerWaalsContact O-N 3.11Å; M164-Q166 PolarHBondContact O-N 2.69Å; M164-Q166 VanDerWaalsContact O-N 3.11Å
167	H	85.1	Confident	89.7	Confident	50 Å²	50	36.5 Å²	36.5	23%	0.231	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-25.6	-177.7	-68.1	-65.1	0	0	0	113.3	R163 M164 T165 Y369	R163-H167 PolarHBondContact O-CD2 3.07Å; M164-H167 PolarHBondContact O-N 2.83Å; T165-H167 VanDerWaalsContact C-N 3.34Å; H167-Y369 HydrophobicContact CB-CD1 4.13Å; H167-Y369 HydrophobicContact CB-CE1 3.77Å; H167-Y369 PolarHBondContact O-OH 3.35Å
168	T	86.5	Confident	90.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	19%	0.192	C	C	.	.			trans	-137.7	142	172.2	176.9	0	0	0	0	110.5	Y132 V134 M164 T165 D170 L171	Y132-T168 WeakPolarHBondContact O-CB 3.34Å; Y132-T168 PolarHBondContact O-OG1 2.74Å; V134-T168 HydrophobicContact CB-CG2 4.12Å; V134-T168 HydrophobicContact CG2-CG2 3.85Å; M164-T168 PolarHBondContact O-N 3.2Å; T165-T168 CarbonylContact C-O 3.53Å; T165-T168 WeakPolarHBondContact CA-O 2.96Å; T165-T168 VanDerWaalsContact O-O 3.05Å; T168-D170 VanDerWaalsContact C-N 3.31Å; T168-D170 PolarHBondContact OG1-N 2.61Å; T168-D170 VanDerWaalsContact OG1-N 3.13Å; T168-L171 HydrophobicContact CG2-CB 3.98Å; T168-L171 HydrophobicContact CG2-CD1 4.37Å
169	S	81	Confident	91.3	Very high	104 Å²	104	35 Å²	35	73%	0.727	18%	0.183	S	C	*	.	S	Bend	trans	-83.6	-7.9	173.6	49.7	0	0	0	0	113.3
170	D	89	Confident	91.7	Very high	53 Å²	53	33 Å²	33	28%	0.283	17%	0.166	S	C	.	.			trans	-133.4	75.7	-174.7	-174.3	8.8	0	0	0	110.7	P133 V134 T168 W172 R260	P133-D170 WeakPolarHBondContact CA-O 2.85Å; P133-D170 HydrophobicContact CB-CB 4.16Å; P133-D170 WeakPolarHBondContact CB-OD2 3.4Å; P133-D170 HydrophobicContact CG-CB 4.46Å; V134-D170 PolarHBondContact N-O 2.74Å; T168-D170 VanDerWaalsContact C-N 3.31Å; T168-D170 PolarHBondContact OG1-N 2.61Å; T168-D170 VanDerWaalsContact OG1-N 3.13Å; D170-W172 PolarHBondContact OD1-NE1 3.47Å; D170-R260 PolarHBondContact O-NH2 3.32Å; D170-R260 IonicContact OD1-CZ 2.87Å; D170-R260 IonicContact OD1-NH1 3.62Å; D170-R260 PolarHBondContact OD1-NH1 2.72Å; D170-R260 IonicContact OD1-NH2 3.92Å; D170-R260 PolarHBondContact OD1-NH2 3.43Å; D170-R260 IonicContact OD2-CZ 3.61Å; D170-R260 IonicContact OD2-NH1 3.73Å; D170-R260 PolarHBondContact OD2-NH1 2.97Å; D170-R260 IonicContact OD2-NH2 3.6Å
171	L	92.7	Very high	92.1	Very high	15 Å²	15	33 Å²	33	8%	0.079	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123	-179	179.2	66	0	0	0	110.7	V134 L136 S161 M164 T165 T168 L173	V134-L171 HydrophobicContact CB-CD1 4.22Å; V134-L171 HydrophobicContact CG1-CD1 4.33Å; V134-L171 WeakPolarHBondContact O-CA 3.4Å; L136-L171 HydrophobicContact CB-CD1 4.38Å; S161-L171 WeakPolarHBondContact O-CD2 3.32Å; M164-L171 HydrophobicContact CB-CD1 4.25Å; M164-L171 HydrophobicContact CB-CD2 3.6Å; T165-L171 HydrophobicContact CG2-CD2 3.94Å; T168-L171 HydrophobicContact CG2-CB 3.98Å; T168-L171 HydrophobicContact CG2-CD1 4.37Å; L171-L173 HydrophobicContact CD1-CD2 4.17Å; L171-L173 HydrophobicContact CD2-CD2 4.11Å; L171-L173 HydrophobicContact CD2-CG 4.43Å; L171-L173 HydrophobicContact CG-CD2 4.06Å; L171-L173 HydrophobicContact CG-CG 4.25Å
172	W	95.6	Very high	92.6	Very high	89 Å²	89	35.2 Å²	35.2	34%	0.337	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	142.2	169	-74.1	43.9	0	0	0	110.1	V134 D135 L136 D170 M217	V134-W172 PolarHBondContact O-N 3.11Å; D135-W172 WeakPolarHBondContact CA-O 3.1Å; L136-W172 PolarHBondContact N-O 2.95Å; D170-W172 PolarHBondContact OD1-NE1 3.47Å; W172-M217 HydrophobicContact CB-CB 4.38Å; W172-M217 VanDerWaalsContact CE3-C 3.49Å; W172-M217 HydrophobicContact CE3-CB 3.76Å; W172-M217 VanDerWaalsContact CE3-O 3.3Å; W172-M217 WeakPolarHBondContact CZ3-O 3.25Å
173	L	96.3	Very high	92.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.3	-173.7	-59.5	167	0	0	0	109.5	L136 Y138 S161 L171 M217 T218 I221 F224	L136-L173 HydrophobicContact CB-CD2 4.13Å; L136-L173 HydrophobicContact CD2-CD2 4.28Å; L136-L173 HydrophobicContact CG-CD2 4.48Å; L136-L173 WeakPolarHBondContact O-CA 3.29Å; Y138-L173 HydrophobicContact CE2-CD2 4.06Å; S161-L173 WeakPolarHBondContact OG-CD1 3.41Å; L171-L173 HydrophobicContact CD1-CD2 4.17Å; L171-L173 HydrophobicContact CD2-CD2 4.11Å; L171-L173 HydrophobicContact CD2-CG 4.43Å; L171-L173 HydrophobicContact CG-CD2 4.06Å; L171-L173 HydrophobicContact CG-CG 4.25Å; L173-M217 WeakPolarHBondContact O-CA 3.22Å; L173-T218 PolarHBondContact N-O 2.6Å; L173-T218 PolarHBondContact O-N 3.4Å; L173-I221 HydrophobicContact CD1-CG1 4.16Å; L173-F224 HydrophobicContact CB-CB 4.41Å; L173-F224 HydrophobicContact CB-CD2 3.74Å; L173-F224 HydrophobicContact CB-CE2 4.18Å; L173-F224 HydrophobicContact CB-CG 4.04Å; L173-F224 HydrophobicContact CD1-CB 4.25Å; L173-F224 HydrophobicContact CD1-CD1 3.96Å; L173-F224 HydrophobicContact CD1-CD2 4.45Å; L173-F224 HydrophobicContact CD1-CE1 4.44Å; L173-F224 HydrophobicContact CD1-CG 3.96Å
174	G	97.1	Very high	93.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.9	172	0	0	0	0	0	111.3	L136 Y138 L215 M217	L136-G174 PolarHBondContact O-N 2.74Å; L136-G174 VanDerWaalsContact O-N 3.1Å; Y138-G174 PolarHBondContact N-O 3.36Å; G174-L215 WeakPolarHBondContact CA-O 3.42Å; G174-M217 PolarHBondContact N-SD 2.97Å; G174-M217 VanDerWaalsContact N-SD 3.4Å
175	F	97.4	Very high	93.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	134.8	179.8	-173.1	-84.8	0	0	0	112	Y137 Y138 V140 V214 L215 F224 V227 M228 Q231	Y137-F175 PolarHBondContact OH-O 2.87Å; Y138-F175 CarbonylContact O-C 3.54Å; Y138-F175 WeakPolarHBondContact O-CA 2.94Å; V140-F175 HydrophobicContact CB-CE2 3.98Å; V140-F175 HydrophobicContact CB-CZ 3.94Å; V140-F175 HydrophobicContact CG2-CD2 4.33Å; V140-F175 HydrophobicContact CG2-CE2 3.52Å; V140-F175 HydrophobicContact CG2-CZ 4.03Å; F175-V214 HydrophobicContact CD1-CB 3.83Å; F175-V214 HydrophobicContact CD1-CG2 3.84Å; F175-V214 HydrophobicContact CE1-CG2 4.11Å; F175-V214 PolarHBondContact O-N 2.74Å; F175-L215 HydrophobicContact CB-CB 4.06Å; F175-L215 PolarHBondContact N-O 3.33Å; F175-L215 PolarHBondContact O-N 3.43Å; F175-F224 HydrophobicContact CB-CE2 4.33Å; F175-V227 HydrophobicContact CB-CG1 4.5Å; F175-V227 HydrophobicContact CD1-CG1 4.4Å; F175-M228 HydrophobicContact CD2-CE 4.26Å; F175-M228 HydrophobicContact CD2-SD 3.15Å; F175-M228 WeakPolarHBondContact CD2-SD 3.36Å; F175-M228 HydrophobicContact CE2-CE 3.82Å; F175-M228 HydrophobicContact CE2-SD 3.23Å; F175-M228 WeakPolarHBondContact CE2-SD 3.43Å; F175-M228 HydrophobicContact CG-SD 4.14Å; F175-M228 HydrophobicContact CZ-SD 4.27Å; F175-Q231 HydrophobicContact CE1-CG 3.79Å; F175-Q231 HydrophobicContact CE2-CG 4.47Å; F175-Q231 HydrophobicContact CZ-CG 3.66Å
176	G	97.7	Very high	93.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	152	167.4	0	0	0	0	0	111.5	Y137 Y138 V140 H212	Y137-G176 VanDerWaalsContact OH-CA 3.31Å; Y137-G176 WeakPolarHBondContact OH-CA 2.97Å; Y137-G176 PolarHBondContact OH-N 3.44Å; Y138-G176 PolarHBondContact O-N 2.87Å; V140-G176 PolarHBondContact N-O 2.85Å; G176-H212 CarbonylContact C-O 3.44Å; G176-H212 WeakPolarHBondContact CA-O 3.27Å
177	S	97.3	Very high	94.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.8	174.2	63.6	0	0	0	0	111.2	V140 H209 F211 H212	V140-S177 WeakPolarHBondContact O-CA 3.33Å; S177-H209 PolarHBondContact OG-NE2 2.82Å; S177-F211 WeakPolarHBondContact O-CD2 3.3Å; S177-H212 PolarHBondContact N-O 2.83Å; S177-H212 PolarHBondContact O-N 2.86Å
178	F	98.1	Very high	94.5	Very high	1 Å²	1	25 Å²	25	0%	0.004	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	158.2	171.9	68.5	-88.5	0	0	0	111	L139 V140 D141 V142 G210 E241 A246 L269	L139-F178 HydrophobicContact CD1-CD1 4.06Å; L139-F178 HydrophobicContact CD2-CD1 4.5Å; L139-F178 HydrophobicContact CG-CD1 3.82Å; L139-F178 HydrophobicContact CG-CE1 3.98Å; V140-F178 VanDerWaalsContact C-CE1 3.45Å; V140-F178 PolarHBondContact O-N 2.59Å; V140-F178 VanDerWaalsContact O-N 3.12Å; D141-F178 HydrophobicContact CB-CE1 4.14Å; D141-F178 HydrophobicContact CB-CE2 3.8Å; D141-F178 HydrophobicContact CB-CZ 3.57Å; D141-F178 VanDerWaalsContact N-CE1 3.28Å; V142-F178 PolarHBondContact N-O 2.92Å; F178-G210 VanDerWaalsContact CA-O 3.22Å; F178-G210 WeakPolarHBondContact CA-O 3Å; F178-G210 WeakPolarHBondContact CB-O 3.48Å; F178-E241 HydrophobicContact CE2-CB 4.16Å; F178-A246 HydrophobicContact CB-CB 3.55Å; F178-A246 HydrophobicContact CD1-CB 4.04Å; F178-A246 HydrophobicContact CG-CB 3.89Å; F178-L269 HydrophobicContact CD1-CD1 4.47Å; F178-L269 HydrophobicContact CE1-CD1 3.47Å; F178-L269 VanDerWaalsContact CE1-CD1 3.47Å; F178-L269 HydrophobicContact CZ-CD1 3.64Å
179	V	97.4	Very high	94.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.172	C	C	.	.			trans	-134.1	-96.3	169.3	-172.9	0	0	0	0	105.3	V142 H209 G210 N236 G242	V142-V179 HydrophobicContact CG2-CG2 3.66Å; V179-H209 WeakPolarHBondContact CB-O 3.26Å; V179-H209 PolarHBondContact N-O 2.78Å; V179-G210 PolarHBondContact N-O 2.86Å; V179-N236 HydrophobicContact CG1-CB 3.98Å; V179-G242 PolarHBondContact O-N 3.21Å
180	D	97.3	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.			trans	-155.2	176.2	173.8	-156.3	1.7	0	0	0	111.6	F186 H209 G210 N236 G242 H276 H309	D180-F186 HydrophobicContact CB-CB 4.47Å; D180-F186 WeakPolarHBondContact OD2-CB 3.45Å; D180-F186 WeakPolarHBondContact OD2-CD1 3.1Å; D180-H209 PolarHBondContact N-O 2.91Å; D180-H209 CarbonylContact O-C 3.59Å; D180-H209 VanDerWaalsContact O-O 3.06Å; D180-G210 WeakPolarHBondContact O-CA 3.38Å; D180-G210 PolarHBondContact O-N 2.81Å; D180-N236 HydrophobicContact CB-CB 4.45Å; D180-G242 PolarHBondContact OD1-N 2.96Å; D180-H276 IonicContact OD1-CD2 3.62Å; D180-H276 IonicContact OD2-CD2 2.89Å; D180-H276 PolarHBondContact OD2-CD2 3.49Å; D180-H276 IonicContact OD2-NE2 3.39Å; D180-H276 PolarHBondContact OD2-NE2 2.91Å; D180-H309 IonicContact OD1-CE1 3.92Å
181	K	97.2	Very high	95.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.179	C	C	.	.			trans	-56.4	126.3	-178.3	-65.4	177.3	179	-77.5	0	110	V183 F186 D245 S281 I286 S304 M307 H309	K181-V183 HydrophobicContact CB-CG2 4.07Å; K181-V183 PolarHBondContact O-N 2.9Å; K181-F186 HydrophobicContact CB-CD2 3.74Å; K181-F186 HydrophobicContact CB-CE2 4.19Å; K181-F186 HydrophobicContact CB-CG 4.43Å; K181-F186 HydrophobicContact CD-CD2 4.4Å; K181-F186 HydrophobicContact CD-CE2 4.01Å; K181-D245 WeakPolarHBondContact CE-OD2 3.27Å; K181-D245 IonicContact NZ-OD1 3.99Å; K181-D245 IonicContact NZ-OD2 3.04Å; K181-D245 PolarHBondContact NZ-OD2 2.92Å; K181-S281 WeakPolarHBondContact CD-OG 3.04Å; K181-S281 WeakPolarHBondContact CE-OG 3.38Å; K181-I286 HydrophobicContact CD-CD1 4.38Å; K181-S304 WeakPolarHBondContact CD-O 3.19Å; K181-S304 WeakPolarHBondContact CG-O 3.1Å; K181-S304 PolarHBondContact NZ-O 2.79Å; K181-M307 PolarHBondContact NZ-O 2.93Å; K181-H309 WeakPolarHBondContact CE-CE1 3.35Å; K181-H309 WeakPolarHBondContact CE-ND1 3.33Å; K181-H309 WeakPolarHBondContact CE-NE2 3.44Å
182	P	95.1	Very high	95.2	Very high	46 Å²	46	33.5 Å²	33.5	30%	0.299	20%	0.197	S	C	.	.	S	Bend	trans	-80.1	53.1	-176.7	33.3	-35.7	0	0	0	111.9	I187 S304 T305	P182-I187 VanDerWaalsContact C-CD1 3.46Å; P182-I187 HydrophobicContact CB-CD1 4Å; P182-S304 WeakPolarHBondContact CD-OG 3.3Å; P182-T305 HydrophobicContact CG-CG2 3.75Å
183	V	95.6	Very high	94.9	Very high	32 Å²	32	31.1 Å²	31.1	19%	0.194	19%	0.189	C	C	.	.	S	Bend	trans	-137.3	157.5	175.8	-62.5	0	0	0	0	110.4	K181 F186 I187 A284 I286 T305	K181-V183 HydrophobicContact CB-CG2 4.07Å; K181-V183 PolarHBondContact O-N 2.9Å; V183-F186 HydrophobicContact CG2-CD2 3.78Å; V183-F186 HydrophobicContact CG2-CE2 4.12Å; V183-F186 PolarHBondContact O-N 2.89Å; V183-F186 VanDerWaalsContact O-N 3.14Å; V183-I187 PolarHBondContact O-N 2.95Å; V183-I187 VanDerWaalsContact O-N 3.13Å; V183-A284 HydrophobicContact CG2-CB 3.75Å; V183-I286 HydrophobicContact CG2-CD1 4.15Å; V183-T305 HydrophobicContact CG1-CG2 3.68Å
184	S	95.5	Very high	94.7	Very high	67 Å²	67	35 Å²	35	47%	0.469	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	140.9	171.4	-173.2	0	0	0	0	110	A284	S184-A284 WeakPolarHBondContact O-CA 3.45Å; S184-A284 WeakPolarHBondContact O-CB 2.85Å
185	P	95.8	Very high	94.4	Very high	56 Å²	56	40.9 Å²	40.9	36%	0.364	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.9	-4.9	8.5	35.8	-35.3	0	0	0	116.4	I187 L283	P185-I187 VanDerWaalsContact C-N 3.29Å; P185-I187 PolarHBondContact O-N 3.24Å; P185-L283 HydrophobicContact CG-CB 4.23Å
186	F	96.1	Very high	94.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-36.7	-175.3	-49.9	-63.6	0	0	0	113.3	D180 K181 V183 V237 D238 H276 A284	D180-F186 HydrophobicContact CB-CB 4.47Å; D180-F186 WeakPolarHBondContact OD2-CB 3.45Å; D180-F186 WeakPolarHBondContact OD2-CD1 3.1Å; K181-F186 HydrophobicContact CB-CD2 3.74Å; K181-F186 HydrophobicContact CB-CE2 4.19Å; K181-F186 HydrophobicContact CB-CG 4.43Å; K181-F186 HydrophobicContact CD-CD2 4.4Å; K181-F186 HydrophobicContact CD-CE2 4.01Å; V183-F186 HydrophobicContact CG2-CD2 3.78Å; V183-F186 HydrophobicContact CG2-CE2 4.12Å; V183-F186 PolarHBondContact O-N 2.89Å; V183-F186 VanDerWaalsContact O-N 3.14Å; F186-V237 PolarHBondContact O-N 2.8Å; F186-D238 WeakPolarHBondContact CA-OD1 3.36Å; F186-D238 WeakPolarHBondContact CD1-OD2 3.3Å; F186-H276 AromaticContact CD1-NE2 3.51Å; F186-H276 AromaticContact CE1-CE1 3.74Å; F186-H276 AromaticContact CE1-NE2 3.6Å; F186-A284 HydrophobicContact CD2-CB 4.16Å; F186-A284 HydrophobicContact CE2-CB 3.45Å; F186-A284 VanDerWaalsContact CE2-CB 3.45Å; F186-A284 HydrophobicContact CZ-CB 4.18Å
187	I	94.1	Very high	94.1	Very high	19 Å²	19	43.6 Å²	43.6	10%	0.097	26%	0.256	C	S	.	.	S	Bend	trans	-122.6	161	174.5	70.1	154.3	0	0	0	111.8	P182 V183 P185 V189 A208 N236	P182-I187 VanDerWaalsContact C-CD1 3.46Å; P182-I187 HydrophobicContact CB-CD1 4Å; V183-I187 PolarHBondContact O-N 2.95Å; V183-I187 VanDerWaalsContact O-N 3.13Å; P185-I187 VanDerWaalsContact C-N 3.29Å; P185-I187 PolarHBondContact O-N 3.24Å; I187-V189 HydrophobicContact CG1-CG1 4.45Å; I187-V189 PolarHBondContact O-N 3.44Å; I187-A208 HydrophobicContact CB-CB 4.29Å; I187-A208 HydrophobicContact CD1-CB 4.25Å; I187-A208 HydrophobicContact CG2-CB 3.53Å; I187-N236 HydrophobicContact CG2-CB 4.43Å
188	S	92.7	Very high	93.9	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	26%	0.257	S	S	.	.			trans	-80.4	115.7	169.5	-169.7	0	0	0	0	110.6	H190 K193 V237	S188-H190 PolarHBondContact O-N 2.73Å; S188-K193 WeakPolarHBondContact OG-CD 3.5Å; S188-V237 VanDerWaalsContact N-CG2 3.32Å
189	V	91.1	Very high	93.5	Very high	80 Å²	80	45.6 Å²	45.6	49%	0.485	27%	0.27	S	S	.	.			trans	-84.2	12.1	174.7	-61.3	0	0	0	0	113	I187	I187-V189 HydrophobicContact CG1-CG1 4.45Å; I187-V189 PolarHBondContact O-N 3.44Å
190	H	91.9	Very high	92.9	Very high	108 Å²	108	51.7 Å²	51.7	50%	0.5	30%	0.298	S	S	.	.			trans	-66.5	133	174.6	-171.5	-90.8	0	0	0	109.6	S188 S192 K193 I194	S188-H190 PolarHBondContact O-N 2.73Å; H190-S192 PolarHBondContact CE1-OG 2.79Å; H190-S192 PolarHBondContact ND1-N 3.34Å; H190-S192 PolarHBondContact ND1-OG 3.21Å; H190-S192 PolarHBondContact O-N 3.17Å; H190-K193 PolarHBondContact O-N 2.8Å; H190-I194 PolarHBondContact O-N 2.88Å
191	P	90.4	Very high	92.3	Very high	99 Å²	99	59.9 Å²	59.9	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-52.4	-34.7	-173.2	-30.5	35.8	0	0	0	115.1	K193	P191-K193 VanDerWaalsContact C-N 3.27Å; P191-K193 PolarHBondContact O-N 3.09Å
192	S	88.9	Confident	91.8	Very high	66 Å²	66	68.7 Å²	68.7	46%	0.462	37%	0.372	S	S	.	.	H	α-helix	trans	-70.5	-19.8	177.7	69.7	0	0	0	0	114.6	H190	H190-S192 PolarHBondContact CE1-OG 2.79Å; H190-S192 PolarHBondContact ND1-N 3.34Å; H190-S192 PolarHBondContact ND1-OG 3.21Å; H190-S192 PolarHBondContact O-N 3.17Å
193	K	90.5	Very high	91.5	Very high	39 Å²	39	70.6 Å²	70.6	17%	0.17	38%	0.378	C	S	.	.	H	α-helix	trans	-104.9	-14.3	-176	-68.6	-169.5	177.8	-169.9	0	113.3	S188 H190 P191 N196 P197 E200	S188-K193 WeakPolarHBondContact OG-CD 3.5Å; H190-K193 PolarHBondContact O-N 2.8Å; P191-K193 VanDerWaalsContact C-N 3.27Å; P191-K193 PolarHBondContact O-N 3.09Å; K193-N196 CarbonylContact O-C 3.52Å; K193-N196 VanDerWaalsContact O-C 3.32Å; K193-P197 WeakPolarHBondContact O-CA 3.24Å; K193-P197 WeakPolarHBondContact O-CB 3.49Å; K193-P197 WeakPolarHBondContact O-CD 3.27Å; K193-E200 WeakPolarHBondContact CE-OE1 3.46Å; K193-E200 IonicContact NZ-OE1 2.92Å; K193-E200 PolarHBondContact NZ-OE1 2.75Å; K193-E200 IonicContact NZ-OE2 2.72Å; K193-E200 PolarHBondContact NZ-OE2 3.4Å
194	I	91.3	Very high	91.2	Very high	83 Å²	83	78.4 Å²	78.4	43%	0.426	40%	0.404	S	S	.	.	H	α-helix	trans	-61.6	-51.1	177.2	-67.7	174.5	0	0	0	110.7	H190 P207	H190-I194 PolarHBondContact O-N 2.88Å; I194-P207 WeakPolarHBondContact O-CB 3.36Å
195	D	91.9	Very high	91.1	Very high	123 Å²	123	75.5 Å²	75.5	66%	0.658	38%	0.384	S	S	*	.	S	Bend	trans	-80.6	-24.9	-178	-69.1	-29.7	0	0	0	113.2
196	N	94.1	Very high	91	Very high	34 Å²	34	77 Å²	77	18%	0.182	38%	0.383	C	S	.	.			trans	-147.6	86.8	179.4	-176.4	27.1	0	0	0	110.7	K193 C198 S199 I203 C205	K193-N196 CarbonylContact O-C 3.52Å; K193-N196 VanDerWaalsContact O-C 3.32Å; N196-C198 PolarHBondContact O-N 3.49Å; N196-C198 VanDerWaalsContact O-N 3.09Å; N196-S199 WeakPolarHBondContact O-CB 3.48Å; N196-S199 PolarHBondContact O-N 2.99Å; N196-I203 PolarHBondContact ND2-O 2.88Å; N196-I203 PolarHBondContact OD1-O 3.09Å; N196-I203 VanDerWaalsContact OD1-O 3.13Å; N196-C205 PolarHBondContact OD1-N 2.9Å; N196-C205 PolarHBondContact OD1-SG 2.92Å; N196-C205 VanDerWaalsContact OD1-SG 3.37Å
197	P	94.3	Very high	91	Very high	22 Å²	22	80.1 Å²	80.1	14%	0.143	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-17	-176.1	26.1	-34.1	0	0	0	112.9	K193 S199 C205 R206 A235	K193-P197 WeakPolarHBondContact O-CA 3.24Å; K193-P197 WeakPolarHBondContact O-CB 3.49Å; K193-P197 WeakPolarHBondContact O-CD 3.27Å; P197-S199 VanDerWaalsContact C-N 3.32Å; P197-S199 PolarHBondContact O-N 2.84Å; P197-C205 VanDerWaalsContact CD-SG 3.58Å; P197-R206 VanDerWaalsContact CD-O 3.28Å; P197-R206 WeakPolarHBondContact CD-O 3.46Å; P197-R206 WeakPolarHBondContact CG-O 3.37Å; P197-A235 HydrophobicContact CB-CB 3.96Å; P197-A235 HydrophobicContact CG-CB 4.07Å
198	C	93.1	Very high	91	Very high	4 Å²	4	80 Å²	80	3%	0.027	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	13.7	177	-41.3	0	0	0	0	113.7	N196 E200 Y201 I203 C205	N196-C198 PolarHBondContact O-N 3.49Å; N196-C198 VanDerWaalsContact O-N 3.09Å; C198-E200 PolarHBondContact O-N 3.23Å; C198-E200 VanDerWaalsContact O-N 3.15Å; C198-Y201 PolarHBondContact O-N 2.8Å; C198-Y201 VanDerWaalsContact O-N 3.07Å; C198-I203 CarbonylContact C-O 3.57Å; C198-I203 HydrophobicContact CB-CB 4.32Å; C198-C205 HydrophobicContact CB-CB 3.82Å; C198-C205 WeakPolarHBondContact CB-SG 3.34Å; C198-C205 PolarHBondContact N-SG 3.39Å; C198-C205 WeakPolarHBondContact SG-CB 3.44Å; C198-C205 CovalentContact SG-SG 2.03Å; C198-C205 PolarHBondContact SG-SG 3.35Å
199	S	89.8	Confident	91.1	Very high	40 Å²	40	78.7 Å²	78.7	28%	0.28	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-56.6	-32.2	-174.7	63.9	0	0	0	0	113.9	N196 P197 Y201 Q202	N196-S199 WeakPolarHBondContact O-CB 3.48Å; N196-S199 PolarHBondContact O-N 2.99Å; P197-S199 VanDerWaalsContact C-N 3.32Å; P197-S199 PolarHBondContact O-N 2.84Å; S199-Y201 VanDerWaalsContact C-N 3.27Å; S199-Y201 PolarHBondContact O-N 2.06Å; S199-Q202 PolarHBondContact O-N 2.9Å; S199-Q202 VanDerWaalsContact O-N 3.16Å
200	E	85.1	Confident	91.4	Very high	129 Å²	129	75.1 Å²	75.1	60%	0.603	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65.6	-29.4	179.8	-73.2	178.1	165.8	0	0	113.1	K193 C198 Q202	K193-E200 WeakPolarHBondContact CE-OE1 3.46Å; K193-E200 IonicContact NZ-OE1 2.92Å; K193-E200 PolarHBondContact NZ-OE1 2.75Å; K193-E200 IonicContact NZ-OE2 2.72Å; K193-E200 PolarHBondContact NZ-OE2 3.4Å; C198-E200 PolarHBondContact O-N 3.23Å; C198-E200 VanDerWaalsContact O-N 3.15Å; E200-Q202 VanDerWaalsContact C-N 3.28Å; E200-Q202 PolarHBondContact O-N 3.06Å
201	Y	84.9	Confident	91.7	Very high	171 Å²	171	70 Å²	70	67%	0.671	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-89.4	7.1	178	-56.7	-75.2	0	0	0	112.6	C198 S199 I203	C198-Y201 PolarHBondContact O-N 2.8Å; C198-Y201 VanDerWaalsContact O-N 3.07Å; S199-Y201 VanDerWaalsContact C-N 3.27Å; S199-Y201 PolarHBondContact O-N 2.06Å; Y201-I203 PolarHBondContact O-N 3.03Å; Y201-I203 VanDerWaalsContact O-N 3.11Å
202	Q	85.4	Confident	92.1	Very high	186 Å²	186	67.7 Å²	67.7	87%	0.869	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	22.2	-174	-55.5	179.5	-4.6	0	0	113.5	S199 E200	S199-Q202 PolarHBondContact O-N 2.9Å; S199-Q202 VanDerWaalsContact O-N 3.16Å; E200-Q202 VanDerWaalsContact C-N 3.28Å; E200-Q202 PolarHBondContact O-N 3.06Å
203	I	88.2	Confident	92.5	Very high	85 Å²	85	64.9 Å²	64.9	44%	0.436	31%	0.31	S	S	.	.			trans	-102.2	140.6	177.2	-65.3	165.9	0	0	0	108.2	N196 C198 Y201 I233	N196-I203 PolarHBondContact ND2-O 2.88Å; N196-I203 PolarHBondContact OD1-O 3.09Å; N196-I203 VanDerWaalsContact OD1-O 3.13Å; C198-I203 CarbonylContact C-O 3.57Å; C198-I203 HydrophobicContact CB-CB 4.32Å; Y201-I203 PolarHBondContact O-N 3.03Å; Y201-I203 VanDerWaalsContact O-N 3.11Å; I203-I233 HydrophobicContact CG2-CD1 4.44Å
204	R	89.9	Confident	92.8	Very high	196 Å²	196	65.5 Å²	65.5	74%	0.74	32%	0.317	S	S	*	.			trans	-94.5	110.8	171.6	-171.5	175.2	179.5	177.1	2.7	109.9	R232	R204-R232 PolarHBondContact O-NH2 3.47Å
205	C	93.4	Very high	93.1	Very high	7 Å²	7	62.2 Å²	62.2	5%	0.047	30%	0.3	C	S	.	.			trans	-116.7	178.1	176.7	70.2	0	0	0	0	111.3	N196 P197 C198 I233	N196-C205 PolarHBondContact OD1-N 2.9Å; N196-C205 PolarHBondContact OD1-SG 2.92Å; N196-C205 VanDerWaalsContact OD1-SG 3.37Å; P197-C205 VanDerWaalsContact CD-SG 3.58Å; C198-C205 HydrophobicContact CB-CB 3.82Å; C198-C205 WeakPolarHBondContact CB-SG 3.34Å; C198-C205 PolarHBondContact N-SG 3.39Å; C198-C205 WeakPolarHBondContact SG-CB 3.44Å; C198-C205 CovalentContact SG-SG 2.03Å; C198-C205 PolarHBondContact SG-SG 3.35Å; C205-I233 HydrophobicContact CB-CD1 4.33Å; C205-I233 HydrophobicContact CB-CG1 3.95Å; C205-I233 VanDerWaalsContact CB-O 3.26Å; C205-I233 WeakPolarHBondContact CB-O 3.45Å
206	R	94.5	Very high	93.4	Very high	88 Å²	88	58.9 Å²	58.9	33%	0.332	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-80.2	156	177.5	-68.7	-171.5	178.8	-170.8	6.3	110.7	P197 R230 R232 I233 S234	P197-R206 VanDerWaalsContact CD-O 3.28Å; P197-R206 WeakPolarHBondContact CD-O 3.46Å; P197-R206 WeakPolarHBondContact CG-O 3.37Å; R206-R230 PolarHBondContact NH2-O 3.24Å; R206-R232 HydrophobicContact CG-CB 4.19Å; R206-I233 PolarHBondContact N-O 3.43Å; R206-S234 PolarHBondContact O-OG 3.26Å
207	P	94.8	Very high	93.5	Very high	66 Å²	66	57.9 Å²	57.9	43%	0.429	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-56.3	147.6	167.2	-24.5	34.7	0	0	0	111.7	I194 H209 S234	I194-P207 WeakPolarHBondContact O-CB 3.36Å; P207-H209 PolarHBondContact O-ND1 2.83Å; P207-S234 PolarHBondContact O-OG 2.83Å
208	A	94.5	Very high	93.6	Very high	16 Å²	16	58 Å²	58	13%	0.132	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-63.5	144.3	174.3	0	0	0	0	0	111.3	I187 S234	I187-A208 HydrophobicContact CB-CB 4.29Å; I187-A208 HydrophobicContact CD1-CB 4.25Å; I187-A208 HydrophobicContact CG2-CB 3.53Å; A208-S234 WeakPolarHBondContact CA-OG 3.3Å; A208-S234 PolarHBondContact N-OG 2.88Å
209	H	95.8	Very high	93.6	Very high	11 Å²	11	59.9 Å²	59.9	5%	0.051	30%	0.301	C	S	.	.			trans	-153.3	149.1	-178.1	60.4	-77.9	0	0	0	110.1	S177 V179 D180 P207 H212	S177-H209 PolarHBondContact OG-NE2 2.82Å; V179-H209 WeakPolarHBondContact CB-O 3.26Å; V179-H209 PolarHBondContact N-O 2.78Å; D180-H209 PolarHBondContact N-O 2.91Å; D180-H209 CarbonylContact O-C 3.59Å; D180-H209 VanDerWaalsContact O-O 3.06Å; P207-H209 PolarHBondContact O-ND1 2.83Å; H209-H212 VanDerWaalsContact CB-NE2 3.28Å; H209-H212 WeakPolarHBondContact CB-NE2 3.15Å; H209-H212 AromaticContact CD2-CD2 3.36Å; H209-H212 PolarHBondContact CD2-CD2 2.93Å; H209-H212 AromaticContact CD2-CE1 3.98Å; H209-H212 AromaticContact CD2-CG 3.38Å; H209-H212 AromaticContact CD2-ND1 3.78Å; H209-H212 AromaticContact CD2-NE2 3.78Å; H209-H212 AromaticContact CG-CD2 3.7Å; H209-H212 AromaticContact CG-CE1 3.78Å; H209-H212 AromaticContact CG-CG 3.96Å; H209-H212 AromaticContact CG-NE2 3.61Å; H209-H212 AromaticContact NE2-CG 3.92Å
210	G	97	Very high	93.8	Very high	4 Å²	4	61.8 Å²	61.8	4%	0.041	31%	0.308	C	S	.	.	S	Bend	trans	-68.2	-74.5	176.2	0	0	0	0	0	111.5	F178 V179 D180	F178-G210 VanDerWaalsContact CA-O 3.22Å; F178-G210 WeakPolarHBondContact CA-O 3Å; F178-G210 WeakPolarHBondContact CB-O 3.48Å; V179-G210 PolarHBondContact N-O 2.86Å; D180-G210 WeakPolarHBondContact O-CA 3.38Å; D180-G210 PolarHBondContact O-N 2.81Å
211	F	98.4	Very high	94	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	129.2	177.9	168.8	-121	0	0	0	111.4	L139 S177 H213 A246 Q249 A250 L296 Y301	L139-F211 HydrophobicContact CD1-CD2 3.88Å; L139-F211 HydrophobicContact CD1-CE2 3.49Å; L139-F211 VanDerWaalsContact CD1-CE2 3.49Å; L139-F211 HydrophobicContact CD1-CZ 4.49Å; S177-F211 WeakPolarHBondContact O-CD2 3.3Å; F211-H213 HydrophobicContact CE1-CB 4.35Å; F211-H213 HydrophobicContact CZ-CB 4.09Å; F211-A246 HydrophobicContact CB-CB 3.8Å; F211-A246 HydrophobicContact CD2-CB 3.61Å; F211-A246 HydrophobicContact CE2-CB 4.43Å; F211-A246 HydrophobicContact CG-CB 3.86Å; F211-Q249 HydrophobicContact CD1-CB 3.48Å; F211-Q249 VanDerWaalsContact CD1-CB 3.48Å; F211-Q249 HydrophobicContact CD1-CG 4.25Å; F211-Q249 HydrophobicContact CE1-CB 3.7Å; F211-Q249 HydrophobicContact CG-CB 4.45Å; F211-A250 HydrophobicContact CZ-CB 4.21Å; F211-L296 HydrophobicContact CD1-CD2 3.84Å; F211-L296 HydrophobicContact CE1-CD1 4.19Å; F211-L296 HydrophobicContact CE1-CD2 3.83Å; F211-L296 HydrophobicContact CE1-CG 4.47Å; F211-Y301 HydrophobicContact CB-CD1 4.32Å; F211-Y301 WeakPolarHBondContact O-CB 3.46Å; F211-Y301 PolarHBondContact O-N 2.94Å
212	H	97.8	Very high	94.3	Very high	51 Å²	51	54 Å²	54	24%	0.236	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	122.7	171.8	-76.6	-165.4	0	0	0	109.9	G176 S177 H209 V214	G176-H212 CarbonylContact C-O 3.44Å; G176-H212 WeakPolarHBondContact CA-O 3.27Å; S177-H212 PolarHBondContact N-O 2.83Å; S177-H212 PolarHBondContact O-N 2.86Å; H209-H212 VanDerWaalsContact CB-NE2 3.28Å; H209-H212 WeakPolarHBondContact CB-NE2 3.15Å; H209-H212 AromaticContact CD2-CD2 3.36Å; H209-H212 PolarHBondContact CD2-CD2 2.93Å; H209-H212 AromaticContact CD2-CE1 3.98Å; H209-H212 AromaticContact CD2-CG 3.38Å; H209-H212 AromaticContact CD2-ND1 3.78Å; H209-H212 AromaticContact CD2-NE2 3.78Å; H209-H212 AromaticContact CG-CD2 3.7Å; H209-H212 AromaticContact CG-CE1 3.78Å; H209-H212 AromaticContact CG-CG 3.96Å; H209-H212 AromaticContact CG-NE2 3.61Å; H209-H212 AromaticContact NE2-CG 3.92Å; H212-V214 HydrophobicContact CB-CG2 4.46Å
213	H	98.1	Very high	94.8	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.028	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.8	164.1	177.3	55.8	0	0	0	108.7	Y137 F211 L215 S216 A256 L296 N299	Y137-H213 AromaticContact CE2-CE1 3.88Å; Y137-H213 AromaticContact CE2-ND1 3.75Å; Y137-H213 AromaticContact CZ-ND1 3.74Å; Y137-H213 PolarHBondContact OH-ND1 2.95Å; F211-H213 HydrophobicContact CE1-CB 4.35Å; F211-H213 HydrophobicContact CZ-CB 4.09Å; H213-L215 PolarHBondContact CE1-O 3.48Å; H213-S216 VanDerWaalsContact CE1-CA 3.41Å; H213-S216 WeakPolarHBondContact CE1-CA 3.21Å; H213-S216 PolarHBondContact CE1-N 3.14Å; H213-S216 VanDerWaalsContact CE1-N 3.32Å; H213-S216 VanDerWaalsContact NE2-CA 3.31Å; H213-S216 WeakPolarHBondContact NE2-CA 3.42Å; H213-S216 PolarHBondContact NE2-N 2.8Å; H213-S216 PolarHBondContact NE2-OG 3.17Å; H213-A256 PolarHBondContact NE2-O 3.26Å; H213-L296 HydrophobicContact CB-CD1 4.07Å; H213-N299 HydrophobicContact CB-CB 4.08Å; H213-N299 PolarHBondContact N-O 2.93Å; H213-N299 WeakPolarHBondContact O-CB 3.49Å
214	V	97	Very high	95	Very high	52 Å²	52	44.1 Å²	44.1	32%	0.315	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-37.9	-173.1	-170.5	0	0	0	0	111.8	F175 H212 V227	F175-V214 HydrophobicContact CD1-CB 3.83Å; F175-V214 HydrophobicContact CD1-CG2 3.84Å; F175-V214 HydrophobicContact CE1-CG2 4.11Å; F175-V214 PolarHBondContact O-N 2.74Å; H212-V214 HydrophobicContact CB-CG2 4.46Å; V214-V227 HydrophobicContact CB-CG1 4.36Å; V214-V227 HydrophobicContact CG1-CG1 3.66Å
215	L	97.1	Very high	95.1	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.073	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	115.4	-178.1	-179.3	63.2	0	0	0	110.1	G174 F175 H213 T218 E223 F224 V227	G174-L215 WeakPolarHBondContact CA-O 3.42Å; F175-L215 HydrophobicContact CB-CB 4.06Å; F175-L215 PolarHBondContact N-O 3.33Å; F175-L215 PolarHBondContact O-N 3.43Å; H213-L215 PolarHBondContact CE1-O 3.48Å; L215-T218 HydrophobicContact CD1-CG2 4.05Å; L215-T218 HydrophobicContact CD2-CG2 3.96Å; L215-T218 HydrophobicContact CG-CG2 4.1Å; L215-E223 HydrophobicContact CD1-CG 3.97Å; L215-F224 HydrophobicContact CD2-CB 3.98Å; L215-F224 HydrophobicContact CD2-CD2 3.9Å; L215-F224 HydrophobicContact CD2-CG 4.43Å; L215-V227 HydrophobicContact CB-CG1 4.24Å; L215-V227 HydrophobicContact CB-CG2 4.39Å; L215-V227 HydrophobicContact CD1-CG2 4.36Å; L215-V227 HydrophobicContact CD2-CB 4.27Å; L215-V227 HydrophobicContact CD2-CG2 4.14Å
216	S	97.4	Very high	95.1	Very high	53 Å²	53	40.6 Å²	40.6	37%	0.371	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	154.1	168.5	-50.2	0	0	0	0	110.6	H213 T218 A256 V257	H213-S216 VanDerWaalsContact CE1-CA 3.41Å; H213-S216 WeakPolarHBondContact CE1-CA 3.21Å; H213-S216 PolarHBondContact CE1-N 3.14Å; H213-S216 VanDerWaalsContact CE1-N 3.32Å; H213-S216 VanDerWaalsContact NE2-CA 3.31Å; H213-S216 WeakPolarHBondContact NE2-CA 3.42Å; H213-S216 PolarHBondContact NE2-N 2.8Å; H213-S216 PolarHBondContact NE2-OG 3.17Å; S216-T218 PolarHBondContact O-N 2.02Å; S216-A256 PolarHBondContact OG-O 3.48Å; S216-V257 WeakPolarHBondContact CA-O 3.39Å
217	M	96.8	Very high	95	Very high	13 Å²	13	37 Å²	37	6%	0.064	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	126.3	-179.3	-68	-62.7	-170.1	0	0	111	D135 Y137 W172 L173 G174 V257 G258 W259	D135-M217 HydrophobicContact CB-CE 3.86Å; D135-M217 HydrophobicContact CB-SD 4.28Å; Y137-M217 HydrophobicContact CD2-CE 3.79Å; Y137-M217 HydrophobicContact CD2-SD 4.38Å; Y137-M217 HydrophobicContact CG-CE 4.2Å; W172-M217 HydrophobicContact CB-CB 4.38Å; W172-M217 VanDerWaalsContact CE3-C 3.49Å; W172-M217 HydrophobicContact CE3-CB 3.76Å; W172-M217 VanDerWaalsContact CE3-O 3.3Å; W172-M217 WeakPolarHBondContact CZ3-O 3.25Å; L173-M217 WeakPolarHBondContact O-CA 3.22Å; G174-M217 PolarHBondContact N-SD 2.97Å; G174-M217 VanDerWaalsContact N-SD 3.4Å; M217-V257 HydrophobicContact CE-CG1 4.05Å; M217-V257 HydrophobicContact CG-CG1 4.34Å; M217-V257 WeakPolarHBondContact CG-O 3.47Å; M217-V257 PolarHBondContact N-O 2.89Å; M217-G258 WeakPolarHBondContact CB-O 3.5Å; M217-G258 WeakPolarHBondContact CG-O 3.21Å; M217-W259 HydrophobicContact CE-CD2 3.71Å; M217-W259 HydrophobicContact CE-CE3 3.28Å; M217-W259 HydrophobicContact CE-CH2 3.45Å; M217-W259 VanDerWaalsContact CE-CH2 3.45Å; M217-W259 HydrophobicContact CE-CZ2 3.84Å; M217-W259 HydrophobicContact CE-CZ3 3.15Å
218	T	95.8	Very high	94.8	Very high	24 Å²	24	34 Å²	34	15%	0.147	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	142.7	-178.8	-177.6	0	0	0	0	110.9	L173 L215 S216 N220	L173-T218 PolarHBondContact N-O 2.6Å; L173-T218 PolarHBondContact O-N 3.4Å; L215-T218 HydrophobicContact CD1-CG2 4.05Å; L215-T218 HydrophobicContact CD2-CG2 3.96Å; L215-T218 HydrophobicContact CG-CG2 4.1Å; S216-T218 PolarHBondContact O-N 2.02Å; T218-N220 WeakPolarHBondContact OG1-CB 3.33Å; T218-N220 PolarHBondContact OG1-N 2.85Å; T218-N220 VanDerWaalsContact OG1-N 3.09Å
219	G	93.8	Very high	94.6	Very high	44 Å²	44	39.5 Å²	39.5	45%	0.454	22%	0.218	S	C	.	.	S	Bend	trans	-78	-5.5	167.9	0	0	0	0	0	113.3	I221	G219-I221 PolarHBondContact O-N 2.86Å; G219-I221 VanDerWaalsContact O-N 3.12Å
220	N	93.7	Very high	94.4	Very high	80 Å²	80	46.2 Å²	46.2	43%	0.428	24%	0.243	S	C	.	.			trans	-82.7	89.9	-178.6	-170.4	-17.5	0	0	0	111.8	T218 S222 E223 F224	T218-N220 WeakPolarHBondContact OG1-CB 3.33Å; T218-N220 PolarHBondContact OG1-N 2.85Å; T218-N220 VanDerWaalsContact OG1-N 3.09Å; N220-S222 PolarHBondContact O-N 3.13Å; N220-S222 VanDerWaalsContact O-N 3.16Å; N220-S222 WeakPolarHBondContact OD1-CB 3.36Å; N220-S222 PolarHBondContact OD1-N 3.27Å; N220-S222 VanDerWaalsContact OD1-N 3.1Å; N220-E223 HydrophobicContact CB-CB 4.01Å; N220-E223 WeakPolarHBondContact O-CB 3.36Å; N220-E223 PolarHBondContact O-N 2.86Å; N220-E223 PolarHBondContact OD1-N 2.87Å; N220-E223 VanDerWaalsContact OD1-N 3.14Å; N220-F224 PolarHBondContact O-N 3.29Å; N220-F224 VanDerWaalsContact O-N 3.09Å
221	I	89.9	Confident	94.1	Very high	44 Å²	44	46.5 Å²	46.5	23%	0.226	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-30.9	178.4	-59.5	174.6	0	0	0	112.2	T165 L173 G219 T225	T165-I221 HydrophobicContact CG2-CD1 3.82Å; L173-I221 HydrophobicContact CD1-CG1 4.16Å; G219-I221 PolarHBondContact O-N 2.86Å; G219-I221 VanDerWaalsContact O-N 3.12Å; I221-T225 WeakPolarHBondContact O-CB 3.34Å; I221-T225 PolarHBondContact O-N 3.14Å; I221-T225 PolarHBondContact O-OG1 2.97Å
222	S	91.8	Very high	93.8	Very high	92 Å²	92	52.1 Å²	52.1	64%	0.643	27%	0.265	S	S	*	.	H	α-helix	trans	-69.2	-38.6	178	-60.9	0	0	0	0	111.8	N220 T225 R226	N220-S222 PolarHBondContact O-N 3.13Å; N220-S222 VanDerWaalsContact O-N 3.16Å; N220-S222 WeakPolarHBondContact OD1-CB 3.36Å; N220-S222 PolarHBondContact OD1-N 3.27Å; N220-S222 VanDerWaalsContact OD1-N 3.1Å; S222-T225 PolarHBondContact O-N 2.93Å; S222-R226 WeakPolarHBondContact O-CB 3.18Å; S222-R226 PolarHBondContact O-N 2.84Å
223	E	94.1	Very high	93.6	Very high	64 Å²	64	50.3 Å²	50.3	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-66.5	-46.6	174.3	177.2	162.5	-142.5	0	0	111.5	L215 N220 T225 R226 V227	L215-E223 HydrophobicContact CD1-CG 3.97Å; N220-E223 HydrophobicContact CB-CB 4.01Å; N220-E223 WeakPolarHBondContact O-CB 3.36Å; N220-E223 PolarHBondContact O-N 2.86Å; N220-E223 PolarHBondContact OD1-N 2.87Å; N220-E223 VanDerWaalsContact OD1-N 3.14Å; E223-T225 VanDerWaalsContact C-N 3.32Å; E223-T225 PolarHBondContact O-N 2.92Å; E223-R226 WeakPolarHBondContact O-CB 3.49Å; E223-R226 PolarHBondContact O-N 3.03Å; E223-R226 VanDerWaalsContact O-N 3.14Å; E223-R226 IonicContact OE1-NH2 3.8Å; E223-R226 PolarHBondContact OE1-NH2 2.99Å; E223-V227 WeakPolarHBondContact O-CG2 3.3Å; E223-V227 PolarHBondContact O-N 2.84Å
224	F	93.6	Very high	93.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-53.9	-50.1	173	176.5	-97.9	0	0	0	111.3	Y138 S161 L173 F175 L215 N220 R226 V227 M228	Y138-F224 HydrophobicContact CD1-CZ 4.41Å; Y138-F224 AromaticContact CD2-CE2 3.72Å; Y138-F224 HydrophobicContact CD2-CE2 3.72Å; Y138-F224 AromaticContact CD2-CZ 3.56Å; Y138-F224 HydrophobicContact CD2-CZ 3.56Å; Y138-F224 HydrophobicContact CE1-CZ 4.42Å; Y138-F224 HydrophobicContact CE2-CE1 4.4Å; Y138-F224 HydrophobicContact CE2-CE2 4.1Å; Y138-F224 AromaticContact CE2-CZ 3.58Å; Y138-F224 HydrophobicContact CE2-CZ 3.58Å; Y138-F224 HydrophobicContact CG-CE2 4.26Å; Y138-F224 AromaticContact CG-CZ 3.99Å; Y138-F224 HydrophobicContact CG-CZ 3.99Å; S161-F224 WeakPolarHBondContact OG-CE1 3.23Å; L173-F224 HydrophobicContact CB-CB 4.41Å; L173-F224 HydrophobicContact CB-CD2 3.74Å; L173-F224 HydrophobicContact CB-CE2 4.18Å; L173-F224 HydrophobicContact CB-CG 4.04Å; L173-F224 HydrophobicContact CD1-CB 4.25Å; L173-F224 HydrophobicContact CD1-CD1 3.96Å; L173-F224 HydrophobicContact CD1-CD2 4.45Å; L173-F224 HydrophobicContact CD1-CE1 4.44Å; L173-F224 HydrophobicContact CD1-CG 3.96Å; F175-F224 HydrophobicContact CB-CE2 4.33Å; L215-F224 HydrophobicContact CD2-CB 3.98Å; L215-F224 HydrophobicContact CD2-CD2 3.9Å; L215-F224 HydrophobicContact CD2-CG 4.43Å; N220-F224 PolarHBondContact O-N 3.29Å; N220-F224 VanDerWaalsContact O-N 3.09Å; F224-R226 VanDerWaalsContact C-N 3.3Å; F224-R226 PolarHBondContact O-N 2.65Å; F224-V227 PolarHBondContact O-N 3.42Å; F224-V227 VanDerWaalsContact O-N 3.09Å; F224-M228 HydrophobicContact CD1-CG 4.01Å; F224-M228 HydrophobicContact CD2-CG 4.48Å; F224-M228 HydrophobicContact CE1-CG 3.6Å; F224-M228 HydrophobicContact CE1-SD 4.27Å; F224-M228 HydrophobicContact CE2-CG 4.1Å; F224-M228 HydrophobicContact CE2-SD 4.04Å; F224-M228 HydrophobicContact CG-CG 4.43Å; F224-M228 HydrophobicContact CZ-CG 3.63Å; F224-M228 HydrophobicContact CZ-SD 3.7Å; F224-M228 WeakPolarHBondContact O-CG 3.11Å; F224-M228 PolarHBondContact O-N 2.88Å
225	T	91.8	Very high	93.3	Very high	23 Å²	23	48 Å²	48	14%	0.141	25%	0.245	C	C	.	.	H	α-helix	trans	-58	-41.3	177.9	-60.5	0	0	0	0	112.2	V158 I221 S222 E223 K229	V158-T225 HydrophobicContact CG2-CG2 3.62Å; I221-T225 WeakPolarHBondContact O-CB 3.34Å; I221-T225 PolarHBondContact O-N 3.14Å; I221-T225 PolarHBondContact O-OG1 2.97Å; S222-T225 PolarHBondContact O-N 2.93Å; E223-T225 VanDerWaalsContact C-N 3.32Å; E223-T225 PolarHBondContact O-N 2.92Å; T225-K229 HydrophobicContact CG2-CD 4.23Å; T225-K229 WeakPolarHBondContact O-CG 3.28Å; T225-K229 PolarHBondContact O-N 2.84Å; T225-K229 VanDerWaalsContact O-N 3.09Å
226	R	93.2	Very high	93.1	Very high	106 Å²	106	48.9 Å²	48.9	40%	0.4	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-42.6	176.6	179.2	-172.8	66.3	101.1	-2.6	111.5	S222 E223 F224 R230	S222-R226 WeakPolarHBondContact O-CB 3.18Å; S222-R226 PolarHBondContact O-N 2.84Å; E223-R226 WeakPolarHBondContact O-CB 3.49Å; E223-R226 PolarHBondContact O-N 3.03Å; E223-R226 VanDerWaalsContact O-N 3.14Å; E223-R226 IonicContact OE1-NH2 3.8Å; E223-R226 PolarHBondContact OE1-NH2 2.99Å; F224-R226 VanDerWaalsContact C-N 3.3Å; F224-R226 PolarHBondContact O-N 2.65Å; R226-R230 VanDerWaalsContact NH1-NH1 3.13Å; R226-R230 VanDerWaalsContact O-CG 3.31Å; R226-R230 WeakPolarHBondContact O-CG 3.36Å; R226-R230 PolarHBondContact O-N 2.91Å
227	V	93.4	Very high	92.9	Very high	12 Å²	12	50.9 Å²	50.9	7%	0.073	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-47	178	171.4	0	0	0	0	110.5	F175 V214 L215 E223 F224 K229 R230 Q231	F175-V227 HydrophobicContact CB-CG1 4.5Å; F175-V227 HydrophobicContact CD1-CG1 4.4Å; V214-V227 HydrophobicContact CB-CG1 4.36Å; V214-V227 HydrophobicContact CG1-CG1 3.66Å; L215-V227 HydrophobicContact CB-CG1 4.24Å; L215-V227 HydrophobicContact CB-CG2 4.39Å; L215-V227 HydrophobicContact CD1-CG2 4.36Å; L215-V227 HydrophobicContact CD2-CB 4.27Å; L215-V227 HydrophobicContact CD2-CG2 4.14Å; E223-V227 WeakPolarHBondContact O-CG2 3.3Å; E223-V227 PolarHBondContact O-N 2.84Å; F224-V227 PolarHBondContact O-N 3.42Å; F224-V227 VanDerWaalsContact O-N 3.09Å; V227-K229 VanDerWaalsContact C-N 3.35Å; V227-K229 PolarHBondContact O-N 3.47Å; V227-R230 PolarHBondContact O-N 3.1Å; V227-R230 VanDerWaalsContact O-N 3.12Å; V227-Q231 PolarHBondContact O-N 2.82Å; V227-Q231 PolarHBondContact O-NE2 3.46Å
228	M	90.1	Very high	92.7	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-55.1	-47.8	177.1	-70.8	-57.7	-63.5	0	0	112.3	L153 F175 F224 R230 Q231	L153-M228 HydrophobicContact CD1-CE 4.28Å; L153-M228 HydrophobicContact CD2-CE 3.65Å; L153-M228 HydrophobicContact CG-CE 3.47Å; L153-M228 VanDerWaalsContact CG-CE 3.47Å; F175-M228 HydrophobicContact CD2-CE 4.26Å; F175-M228 HydrophobicContact CD2-SD 3.15Å; F175-M228 WeakPolarHBondContact CD2-SD 3.36Å; F175-M228 HydrophobicContact CE2-CE 3.82Å; F175-M228 HydrophobicContact CE2-SD 3.23Å; F175-M228 WeakPolarHBondContact CE2-SD 3.43Å; F175-M228 HydrophobicContact CG-SD 4.14Å; F175-M228 HydrophobicContact CZ-SD 4.27Å; F224-M228 HydrophobicContact CD1-CG 4.01Å; F224-M228 HydrophobicContact CD2-CG 4.48Å; F224-M228 HydrophobicContact CE1-CG 3.6Å; F224-M228 HydrophobicContact CE1-SD 4.27Å; F224-M228 HydrophobicContact CE2-CG 4.1Å; F224-M228 HydrophobicContact CE2-SD 4.04Å; F224-M228 HydrophobicContact CG-CG 4.43Å; F224-M228 HydrophobicContact CZ-CG 3.63Å; F224-M228 HydrophobicContact CZ-SD 3.7Å; F224-M228 WeakPolarHBondContact O-CG 3.11Å; F224-M228 PolarHBondContact O-N 2.88Å; M228-R230 PolarHBondContact O-N 3.36Å; M228-Q231 PolarHBondContact O-N 3.35Å
229	K	90.5	Very high	92.6	Very high	130 Å²	130	55.4 Å²	55.4	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-65.2	-21.7	-179.3	-72	-178.7	179.9	-176.2	0	114.2	T225 V227	T225-K229 HydrophobicContact CG2-CD 4.23Å; T225-K229 WeakPolarHBondContact O-CG 3.28Å; T225-K229 PolarHBondContact O-N 2.84Å; T225-K229 VanDerWaalsContact O-N 3.09Å; V227-K229 VanDerWaalsContact C-N 3.35Å; V227-K229 PolarHBondContact O-N 3.47Å
230	R	91.7	Very high	92.7	Very high	152 Å²	152	55 Å²	55	57%	0.574	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.8	-178.1	-71.8	176.9	179.1	-163.3	-1.1	113.8	R206 R226 V227 M228	R206-R230 PolarHBondContact NH2-O 3.24Å; R226-R230 VanDerWaalsContact NH1-NH1 3.13Å; R226-R230 VanDerWaalsContact O-CG 3.31Å; R226-R230 WeakPolarHBondContact O-CG 3.36Å; R226-R230 PolarHBondContact O-N 2.91Å; V227-R230 PolarHBondContact O-N 3.1Å; V227-R230 VanDerWaalsContact O-N 3.12Å; M228-R230 PolarHBondContact O-N 3.36Å
231	Q	90.6	Very high	92.9	Very high	11 Å²	11	51.4 Å²	51.4	5%	0.051	26%	0.255	C	S	.	.			trans	-67.1	141.6	176.2	-58.6	-48.6	-39.7	0	0	110.8	F175 V227 M228	F175-Q231 HydrophobicContact CE1-CG 3.79Å; F175-Q231 HydrophobicContact CE2-CG 4.47Å; F175-Q231 HydrophobicContact CZ-CG 3.66Å; V227-Q231 PolarHBondContact O-N 2.82Å; V227-Q231 PolarHBondContact O-NE2 3.46Å; M228-Q231 PolarHBondContact O-N 3.35Å
232	R	91.4	Very high	93.2	Very high	119 Å²	119	49.3 Å²	49.3	45%	0.449	25%	0.245	S	C	.	.			trans	-132.6	145.7	179.9	-65.9	178	69.1	169.2	4	107.2	R204 R206	R204-R232 PolarHBondContact O-NH2 3.47Å; R206-R232 HydrophobicContact CG-CB 4.19Å
233	I	94.1	Very high	93.5	Very high	12 Å²	12	45 Å²	45	6%	0.062	22%	0.215	C	C	.	.			trans	-60.3	162.7	173.3	57.1	162	0	0	0	111.8	V142 Q147 L150 I203 C205 R206	V142-I233 CarbonylContact O-C 3.44Å; V142-I233 VanDerWaalsContact O-CA 3.3Å; V142-I233 WeakPolarHBondContact O-CA 3.45Å; Q147-I233 HydrophobicContact CB-CG2 4.01Å; Q147-I233 VanDerWaalsContact OE1-CD1 3.27Å; L150-I233 HydrophobicContact CD1-CG2 3.65Å; I203-I233 HydrophobicContact CG2-CD1 4.44Å; C205-I233 HydrophobicContact CB-CD1 4.33Å; C205-I233 HydrophobicContact CB-CG1 3.95Å; C205-I233 VanDerWaalsContact CB-O 3.26Å; C205-I233 WeakPolarHBondContact CB-O 3.45Å; R206-I233 PolarHBondContact N-O 3.43Å
234	S	95.3	Very high	93.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.			trans	-130.1	-173	165.7	-178.9	0	0	0	0	107.2	V142 S143 A144 R206 P207 A208	V142-S234 PolarHBondContact O-N 3.29Å; S143-S234 CarbonylContact C-O 3.52Å; A144-S234 WeakPolarHBondContact CA-O 3.39Å; A144-S234 PolarHBondContact N-O 3.42Å; R206-S234 PolarHBondContact O-OG 3.26Å; P207-S234 PolarHBondContact O-OG 2.83Å; A208-S234 WeakPolarHBondContact CA-OG 3.3Å; A208-S234 PolarHBondContact N-OG 2.88Å
235	A	93.1	Very high	93.9	Very high	11 Å²	11	42 Å²	42	9%	0.091	20%	0.201	C	C	.	.			trans	-149.8	152	171.3	0	0	0	0	0	111.7	A144 P197	A144-A235 HydrophobicContact CB-CB 4.02Å; P197-A235 HydrophobicContact CB-CB 3.96Å; P197-A235 HydrophobicContact CG-CB 4.07Å
236	N	92.4	Very high	94.2	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.171	19%	0.194	C	C	.	.			trans	-120.7	-176.8	170.5	56.4	-42	0	0	0	109.1	V179 D180 I187 D238 E241	V179-N236 HydrophobicContact CG1-CB 3.98Å; D180-N236 HydrophobicContact CB-CB 4.45Å; I187-N236 HydrophobicContact CG2-CB 4.43Å; N236-D238 PolarHBondContact ND2-O 2.95Å; N236-E241 PolarHBondContact ND2-OE1 3.37Å; N236-E241 PolarHBondContact ND2-OE2 2.93Å; N236-E241 PolarHBondContact OD1-OE1 3.24Å
237	V	93.3	Very high	94.5	Very high	95 Å²	95	35.8 Å²	35.8	58%	0.576	18%	0.175	S	C	*	.	S	Bend	trans	-106.8	-47.9	-175.2	172.4	0	0	0	0	111.9	F186 S188	F186-V237 PolarHBondContact O-N 2.8Å; S188-V237 VanDerWaalsContact N-CG2 3.32Å
238	D	93.2	Very high	94.7	Very high	47 Å²	47	35.2 Å²	35.2	25%	0.251	17%	0.171	S	C	.	.	S	Bend	trans	-85	179.8	178.5	57.5	-23.1	0	0	0	112.2	F186 N236 H276	F186-D238 WeakPolarHBondContact CA-OD1 3.36Å; F186-D238 WeakPolarHBondContact CD1-OD2 3.3Å; N236-D238 PolarHBondContact ND2-O 2.95Å; D238-H276 IonicContact OD2-CE1 2.77Å; D238-H276 PolarHBondContact OD2-CE1 3.14Å; D238-H276 IonicContact OD2-NE2 3.29Å; D238-H276 PolarHBondContact OD2-NE2 3.28Å
239	T	94.3	Very high	95.1	Very high	84 Å²	84	35 Å²	35	52%	0.515	17%	0.17	S	C	.	.	S	Bend	trans	-91.6	-44	-172.2	-52.8	0	0	0	0	113.4	Q273	T239-Q273 WeakPolarHBondContact O-CB 3.45Å; T239-Q273 WeakPolarHBondContact O-CG 3.41Å
240	P	96.3	Very high	95.5	Very high	36 Å²	36	28.8 Å²	28.8	23%	0.234	14%	0.143	C	C	.	.	S	Bend	trans	-70.7	153	176.6	-10.6	27.4	0	0	0	111.2	P274 H276	P240-P274 CarbonylContact C-O 3.54Å; P240-P274 VanDerWaalsContact CA-O 3.32Å; P240-P274 WeakPolarHBondContact CA-O 3.33Å; P240-H276 PolarHBondContact O-NE2 3.15Å
241	E	96.8	Very high	95.8	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.019	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-118.4	167.3	-175.7	-56.7	-66.6	166	0	0	112	F178 N236 G243 Q273 P274 S275 H276	F178-E241 HydrophobicContact CE2-CB 4.16Å; N236-E241 PolarHBondContact ND2-OE1 3.37Å; N236-E241 PolarHBondContact ND2-OE2 2.93Å; N236-E241 PolarHBondContact OD1-OE1 3.24Å; E241-G243 PolarHBondContact O-N 3.19Å; E241-G243 VanDerWaalsContact O-N 3.09Å; E241-Q273 HydrophobicContact CG-CB 3.78Å; E241-Q273 HydrophobicContact CG-CG 4.29Å; E241-P274 PolarHBondContact N-O 3.18Å; E241-S275 CarbonylContact O-C 3.4Å; E241-S275 WeakPolarHBondContact O-CA 3.29Å; E241-S275 WeakPolarHBondContact O-CB 3.35Å; E241-S275 PolarHBondContact O-OG 3.32Å; E241-H276 PolarHBondContact O-N 3.26Å
242	G	97.3	Very high	96.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.12	C	C	.	.	S	Bend	trans	-79.4	25.4	178.6	0	0	0	0	0	115.4	V179 D180 L244 D245 A246	V179-G242 PolarHBondContact O-N 3.21Å; D180-G242 PolarHBondContact OD1-N 2.96Å; G242-L244 PolarHBondContact O-N 2.93Å; G242-D245 VanDerWaalsContact O-CB 3.32Å; G242-D245 WeakPolarHBondContact O-CB 3.48Å; G242-D245 PolarHBondContact O-N 3.06Å; G242-A246 PolarHBondContact O-N 3.49Å
243	G	97.4	Very high	96.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-56.2	-42.9	-174.6	0	0	0	0	0	114.6	E241 D245 A246 M247 S275	E241-G243 PolarHBondContact O-N 3.19Å; E241-G243 VanDerWaalsContact O-N 3.09Å; G243-D245 PolarHBondContact O-N 3.12Å; G243-A246 WeakPolarHBondContact O-CB 3.48Å; G243-A246 PolarHBondContact O-N 2.99Å; G243-M247 WeakPolarHBondContact O-CG 3.3Å; G243-M247 PolarHBondContact O-N 3.18Å; G243-S275 PolarHBondContact N-OG 3.2Å; G243-S275 VanDerWaalsContact N-OG 3.11Å
244	L	98.1	Very high	96.5	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-68.2	-32.9	-179.9	-59.3	-173.7	0	0	0	113.2	G242 A246 M247 L248 S275 L277 P310 L312 L315 L341	G242-L244 PolarHBondContact O-N 2.93Å; L244-A246 VanDerWaalsContact C-N 3.32Å; L244-M247 HydrophobicContact CD2-SD 4.04Å; L244-M247 PolarHBondContact O-N 2.99Å; L244-L248 WeakPolarHBondContact O-CB 3.5Å; L244-L248 PolarHBondContact O-N 2.03Å; L244-S275 PolarHBondContact N-OG 3.48Å; L244-S275 VanDerWaalsContact N-OG 3.09Å; L244-L277 HydrophobicContact CD1-CD2 3.76Å; L244-P310 HydrophobicContact CB-CG 4.01Å; L244-P310 WeakPolarHBondContact O-CG 3.38Å; L244-L312 HydrophobicContact CD1-CD2 3.75Å; L244-L315 HydrophobicContact CB-CD2 4.4Å; L244-L315 HydrophobicContact CD2-CD2 3.75Å; L244-L315 HydrophobicContact CG-CD2 4.5Å; L244-L341 HydrophobicContact CD1-CD1 4.48Å
245	D	98.1	Very high	96.4	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-60.5	-46.7	173	-113.7	-5.2	0	0	0	109.9	K181 G242 G243 L248 Q249 H290 Y301 H309 P310	K181-D245 WeakPolarHBondContact CE-OD2 3.27Å; K181-D245 IonicContact NZ-OD1 3.99Å; K181-D245 IonicContact NZ-OD2 3.04Å; K181-D245 PolarHBondContact NZ-OD2 2.92Å; G242-D245 VanDerWaalsContact O-CB 3.32Å; G242-D245 WeakPolarHBondContact O-CB 3.48Å; G242-D245 PolarHBondContact O-N 3.06Å; G243-D245 PolarHBondContact O-N 3.12Å; D245-L248 PolarHBondContact O-N 2.96Å; D245-Q249 WeakPolarHBondContact O-CG 3.46Å; D245-Q249 PolarHBondContact O-N 2.66Å; D245-H290 IonicContact OD1-CD2 2.74Å; D245-Y301 HydrophobicContact CB-CE1 4.24Å; D245-H309 IonicContact OD2-ND1 3.27Å; D245-P310 VanDerWaalsContact OD1-CD 3.25Å; D245-P310 WeakPolarHBondContact OD1-CD 3.13Å
246	A	98.5	Very high	96.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.3	-40	179.6	0	0	0	0	0	112.5	L139 F178 F211 G242 G243 L244 Q249 A250	L139-A246 HydrophobicContact CD1-CB 3.92Å; L139-A246 HydrophobicContact CD2-CB 3.93Å; L139-A246 HydrophobicContact CG-CB 4.32Å; F178-A246 HydrophobicContact CB-CB 3.55Å; F178-A246 HydrophobicContact CD1-CB 4.04Å; F178-A246 HydrophobicContact CG-CB 3.89Å; F211-A246 HydrophobicContact CB-CB 3.8Å; F211-A246 HydrophobicContact CD2-CB 3.61Å; F211-A246 HydrophobicContact CE2-CB 4.43Å; F211-A246 HydrophobicContact CG-CB 3.86Å; G242-A246 PolarHBondContact O-N 3.49Å; G243-A246 WeakPolarHBondContact O-CB 3.48Å; G243-A246 PolarHBondContact O-N 2.99Å; L244-A246 VanDerWaalsContact C-N 3.32Å; A246-Q249 PolarHBondContact O-N 3.3Å; A246-A250 VanDerWaalsContact O-CB 3.3Å; A246-A250 WeakPolarHBondContact O-CB 3.08Å; A246-A250 PolarHBondContact O-N 2.94Å
247	M	98.4	Very high	96.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-46.8	173.9	-73.9	-176.2	68	0	0	111.3	L139 G243 L244 A250 A251 L267 L269 L315 L319 F328	L139-M247 HydrophobicContact CD2-CB 4.19Å; L139-M247 HydrophobicContact CD2-CG 3.55Å; G243-M247 WeakPolarHBondContact O-CG 3.3Å; G243-M247 PolarHBondContact O-N 3.18Å; L244-M247 HydrophobicContact CD2-SD 4.04Å; L244-M247 PolarHBondContact O-N 2.99Å; M247-A250 PolarHBondContact O-N 3.42Å; M247-A251 WeakPolarHBondContact O-CB 3.11Å; M247-A251 PolarHBondContact O-N 3.23Å; M247-L267 HydrophobicContact CE-CD2 4.09Å; M247-L267 HydrophobicContact CG-CD2 4.04Å; M247-L269 HydrophobicContact CG-CD1 3.91Å; M247-L269 HydrophobicContact SD-CB 4.3Å; M247-L269 HydrophobicContact SD-CD1 4.16Å; M247-L269 HydrophobicContact SD-CD2 3.78Å; M247-L269 HydrophobicContact SD-CG 4.3Å; M247-L315 HydrophobicContact CB-CD1 4.03Å; M247-L315 HydrophobicContact CB-CD2 4.5Å; M247-L315 HydrophobicContact CE-CD2 4.41Å; M247-L315 HydrophobicContact SD-CD2 4.46Å; M247-L319 HydrophobicContact CE-CD1 4.28Å; M247-F328 HydrophobicContact CE-CE1 4.12Å; M247-F328 HydrophobicContact CE-CE2 4.15Å; M247-F328 HydrophobicContact CE-CZ 3.52Å; M247-F328 HydrophobicContact SD-CE1 3.79Å; M247-F328 HydrophobicContact SD-CZ 3.8Å
248	L	98.4	Very high	97	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.2	-47.3	-179.3	-176.9	59.3	0	0	0	111.2	L244 D245 A250 A251 V252 H290 P310 L314 L315 K318	L244-L248 WeakPolarHBondContact O-CB 3.5Å; L244-L248 PolarHBondContact O-N 2.03Å; D245-L248 PolarHBondContact O-N 2.96Å; L248-A250 VanDerWaalsContact C-N 3.35Å; L248-A250 PolarHBondContact O-N 2.93Å; L248-A251 WeakPolarHBondContact O-CB 3.23Å; L248-A251 PolarHBondContact O-N 3.42Å; L248-V252 HydrophobicContact CD1-CG1 3.85Å; L248-V252 HydrophobicContact CG-CG1 4.46Å; L248-V252 WeakPolarHBondContact O-CG2 3.05Å; L248-V252 PolarHBondContact O-N 2.8Å; L248-H290 WeakPolarHBondContact CD2-CE1 3.48Å; L248-H290 WeakPolarHBondContact CD2-ND1 3.32Å; L248-P310 HydrophobicContact CB-CB 4.44Å; L248-P310 HydrophobicContact CB-CG 4.12Å; L248-P310 HydrophobicContact CD2-CB 3.41Å; L248-P310 VanDerWaalsContact CD2-CB 3.41Å; L248-P310 HydrophobicContact CD2-CG 3.95Å; L248-L314 HydrophobicContact CD2-CD2 3.92Å; L248-L314 HydrophobicContact CD2-CG 4.23Å; L248-L315 HydrophobicContact CB-CD1 4.08Å; L248-L315 HydrophobicContact CD1-CD1 4.3Å; L248-K318 HydrophobicContact CD1-CB 3.62Å; L248-K318 HydrophobicContact CD1-CG 3.74Å
249	Q	98.5	Very high	97.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-42.3	177.9	-71	-60.4	-53.1	0	0	111.8	F211 D245 A246 A251 V252 C253 H290 R293 Y301	F211-Q249 HydrophobicContact CD1-CB 3.48Å; F211-Q249 VanDerWaalsContact CD1-CB 3.48Å; F211-Q249 HydrophobicContact CD1-CG 4.25Å; F211-Q249 HydrophobicContact CE1-CB 3.7Å; F211-Q249 HydrophobicContact CG-CB 4.45Å; D245-Q249 WeakPolarHBondContact O-CG 3.46Å; D245-Q249 PolarHBondContact O-N 2.66Å; A246-Q249 PolarHBondContact O-N 3.3Å; Q249-A251 PolarHBondContact O-N 2.82Å; Q249-V252 PolarHBondContact O-N 2.9Å; Q249-C253 WeakPolarHBondContact O-CB 3.39Å; Q249-C253 PolarHBondContact O-N 2.92Å; Q249-C253 PolarHBondContact O-SG 3.12Å; Q249-H290 PolarHBondContact NE2-CE1 2.55Å; Q249-H290 PolarHBondContact NE2-NE2 3.14Å; Q249-R293 PolarHBondContact NE2-O 2.95Å; Q249-Y301 HydrophobicContact CG-CD1 4.11Å; Q249-Y301 HydrophobicContact CG-CD2 3.64Å; Q249-Y301 HydrophobicContact CG-CE1 4.24Å; Q249-Y301 HydrophobicContact CG-CE2 3.8Å; Q249-Y301 HydrophobicContact CG-CG 3.82Å
250	A	98.3	Very high	96.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.2	-32.4	174.1	0	0	0	0	0	112.6	Y137 F211 A246 M247 L248 W259 L267	Y137-A250 HydrophobicContact CD1-CB 4.22Å; Y137-A250 HydrophobicContact CE1-CB 3.88Å; F211-A250 HydrophobicContact CZ-CB 4.21Å; A246-A250 VanDerWaalsContact O-CB 3.3Å; A246-A250 WeakPolarHBondContact O-CB 3.08Å; A246-A250 PolarHBondContact O-N 2.94Å; M247-A250 PolarHBondContact O-N 3.42Å; L248-A250 VanDerWaalsContact C-N 3.35Å; L248-A250 PolarHBondContact O-N 2.93Å; A250-W259 PolarHBondContact O-NE1 3.46Å; A250-L267 HydrophobicContact CB-CD1 3.98Å
251	A	97.6	Very high	96.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-75.1	-41.4	177.7	0	0	0	0	0	113.3	M247 L248 Q249 Q254 L319 N322 I324	M247-A251 WeakPolarHBondContact O-CB 3.11Å; M247-A251 PolarHBondContact O-N 3.23Å; L248-A251 WeakPolarHBondContact O-CB 3.23Å; L248-A251 PolarHBondContact O-N 3.42Å; Q249-A251 PolarHBondContact O-N 2.82Å; A251-Q254 PolarHBondContact O-NE2 3.36Å; A251-L319 HydrophobicContact CB-CD2 4.04Å; A251-N322 PolarHBondContact O-ND2 2.75Å; A251-I324 HydrophobicContact CB-CD1 3.8Å
252	V	97.9	Very high	95.4	Very high	23 Å²	23	26.8 Å²	26.8	14%	0.139	13%	0.134	C	C	.	.	H	α-helix	trans	-91.5	-23.4	-174.1	-56.8	0	0	0	0	113.5	L248 Q249 Q254 G292 R293 C294 K318	L248-V252 HydrophobicContact CD1-CG1 3.85Å; L248-V252 HydrophobicContact CG-CG1 4.46Å; L248-V252 WeakPolarHBondContact O-CG2 3.05Å; L248-V252 PolarHBondContact O-N 2.8Å; Q249-V252 PolarHBondContact O-N 2.9Å; V252-Q254 PolarHBondContact O-N 2.92Å; V252-G292 WeakPolarHBondContact CG1-O 3.2Å; V252-R293 VanDerWaalsContact CG2-C 3.48Å; V252-R293 WeakPolarHBondContact CG2-O 3.28Å; V252-C294 HydrophobicContact CG2-CB 4.16Å; V252-K318 HydrophobicContact CG1-CB 3.85Å; V252-K318 HydrophobicContact CG1-CD 4.22Å; V252-K318 HydrophobicContact CG1-CG 3.82Å
253	C	97.8	Very high	94.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	14%	0.136	C	C	.	.			trans	-82	53.1	178.6	-66.7	0	0	0	0	113.1	Q249 R255 A256 V257 C294 L296	Q249-C253 WeakPolarHBondContact O-CB 3.39Å; Q249-C253 PolarHBondContact O-N 2.92Å; Q249-C253 PolarHBondContact O-SG 3.12Å; C253-R255 VanDerWaalsContact C-N 3.32Å; C253-R255 PolarHBondContact O-N 3.23Å; C253-A256 HydrophobicContact CB-CB 4.25Å; C253-A256 PolarHBondContact O-N 2.99Å; C253-A256 VanDerWaalsContact O-N 3.12Å; C253-V257 HydrophobicContact CB-CG2 4.41Å; C253-V257 PolarHBondContact O-N 2.8Å; C253-C294 WeakPolarHBondContact CA-SG 3.34Å; C253-C294 HydrophobicContact CB-CB 3.97Å; C253-C294 WeakPolarHBondContact CB-SG 3.22Å; C253-C294 WeakPolarHBondContact SG-CA 3.47Å; C253-C294 WeakPolarHBondContact SG-CB 3.26Å; C253-C294 CovalentContact SG-SG 2.03Å; C253-C294 PolarHBondContact SG-SG 3.21Å; C253-L296 HydrophobicContact CB-CD1 3.7Å; C253-L296 HydrophobicContact CB-CG 4.32Å; C253-L296 VanDerWaalsContact SG-CD1 3.6Å; C253-L296 VanDerWaalsContact SG-CG 3.53Å
254	Q	94.9	Very high	94.4	Very high	43 Å²	43	27.1 Å²	27.1	20%	0.201	14%	0.136	C	C	.	.	H	α-helix	trans	-47.5	-48.8	-173.7	-68.7	-71.6	-55.8	0	0	113.6	A251 V252 G258 W259 R265 N322	A251-Q254 PolarHBondContact O-NE2 3.36Å; V252-Q254 PolarHBondContact O-N 2.92Å; Q254-G258 WeakPolarHBondContact O-CA 3.38Å; Q254-G258 PolarHBondContact O-N 3.13Å; Q254-W259 VanDerWaalsContact NE2-CD1 3.33Å; Q254-W259 PolarHBondContact O-N 2.84Å; Q254-R265 VanDerWaalsContact OE1-CZ 3.32Å; Q254-N322 PolarHBondContact NE2-OD1 3.14Å
255	R	94.3	Very high	94.2	Very high	250 Å²	250	28.2 Å²	28.2	94%	0.943	14%	0.141	S	C	*	.	H	α-helix	trans	-71.8	-39.2	-177.9	-65.6	-177.9	-177.5	170.6	1.3	113.6	C253	C253-R255 VanDerWaalsContact C-N 3.32Å; C253-R255 PolarHBondContact O-N 3.23Å
256	A	96.1	Very high	94	Very high	32 Å²	32	28.2 Å²	28.2	26%	0.264	14%	0.141	S	C	.	.	H	α-helix	trans	-72.4	-44.8	-178.2	0	0	0	0	0	110.8	H213 S216 C253 G258 L296	H213-A256 PolarHBondContact NE2-O 3.26Å; S216-A256 PolarHBondContact OG-O 3.48Å; C253-A256 HydrophobicContact CB-CB 4.25Å; C253-A256 PolarHBondContact O-N 2.99Å; C253-A256 VanDerWaalsContact O-N 3.12Å; A256-G258 VanDerWaalsContact C-N 3.34Å; A256-L296 HydrophobicContact CB-CD1 3.89Å
257	V	97.8	Very high	94	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-39.5	174.5	175.4	0	0	0	0	110.9	Y137 S216 M217 C253 W259	Y137-V257 HydrophobicContact CD2-CG1 3.59Å; Y137-V257 HydrophobicContact CE2-CG1 3.59Å; Y137-V257 HydrophobicContact CE2-CG2 4.41Å; Y137-V257 HydrophobicContact CG-CG1 4.39Å; S216-V257 WeakPolarHBondContact CA-O 3.39Å; M217-V257 HydrophobicContact CE-CG1 4.05Å; M217-V257 HydrophobicContact CG-CG1 4.34Å; M217-V257 WeakPolarHBondContact CG-O 3.47Å; M217-V257 PolarHBondContact N-O 2.89Å; C253-V257 HydrophobicContact CB-CG2 4.41Å; C253-V257 PolarHBondContact O-N 2.8Å; V257-W259 HydrophobicContact CG1-CD2 4.19Å; V257-W259 HydrophobicContact CG1-CG 4.19Å; V257-W259 HydrophobicContact CG1-CZ2 4.26Å
258	G	96.6	Very high	93.9	Very high	25 Å²	25	28.2 Å²	28.2	26%	0.258	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	32.3	179.4	0	0	0	0	0	113.7	M217 Q254 A256 R260	M217-G258 WeakPolarHBondContact CB-O 3.5Å; M217-G258 WeakPolarHBondContact CG-O 3.21Å; Q254-G258 WeakPolarHBondContact O-CA 3.38Å; Q254-G258 PolarHBondContact O-N 3.13Å; A256-G258 VanDerWaalsContact C-N 3.34Å; G258-R260 PolarHBondContact O-N 3.35Å
259	W	95.3	Very high	93.8	Very high	13 Å²	13	28.2 Å²	28.2	5%	0.049	14%	0.141	C	C	.	.			trans	-60.7	126.3	175.6	-68.5	112.9	0	0	0	110.9	D135 Y137 M217 A250 Q254 V257 R265 L266 I324	D135-W259 HydrophobicContact CB-CE3 3.57Å; D135-W259 HydrophobicContact CB-CZ3 3.55Å; Y137-W259 HydrophobicContact CG-CH2 4.34Å; Y137-W259 HydrophobicContact CG-CZ2 4.09Å; M217-W259 HydrophobicContact CE-CD2 3.71Å; M217-W259 HydrophobicContact CE-CE3 3.28Å; M217-W259 HydrophobicContact CE-CH2 3.45Å; M217-W259 VanDerWaalsContact CE-CH2 3.45Å; M217-W259 HydrophobicContact CE-CZ2 3.84Å; M217-W259 HydrophobicContact CE-CZ3 3.15Å; A250-W259 PolarHBondContact O-NE1 3.46Å; Q254-W259 VanDerWaalsContact NE2-CD1 3.33Å; Q254-W259 PolarHBondContact O-N 2.84Å; V257-W259 HydrophobicContact CG1-CD2 4.19Å; V257-W259 HydrophobicContact CG1-CG 4.19Å; V257-W259 HydrophobicContact CG1-CZ2 4.26Å; W259-R265 HydrophobicContact CD2-CG 4.38Å; W259-R265 HydrophobicContact CE3-CB 3.73Å; W259-R265 HydrophobicContact CE3-CG 3.62Å; W259-R265 HydrophobicContact CH2-CB 4.36Å; W259-R265 HydrophobicContact CZ3-CB 3.61Å; W259-R265 HydrophobicContact CZ3-CG 4.03Å; W259-L266 WeakPolarHBondContact CH2-O 3.44Å; W259-I324 HydrophobicContact CZ2-CD1 4.21Å
260	R	90.9	Very high	93.6	Very high	21 Å²	21	28.2 Å²	28.2	8%	0.079	14%	0.141	C	C	.	.			trans	-79	137.4	176.6	-62.4	-177.2	-65.9	165.3	-4.2	110.2	V134 D135 D170 G258 E262 A263 R265	V134-R260 PolarHBondContact O-NH2 3.48Å; D135-R260 IonicContact OD1-CZ 2.86Å; D135-R260 IonicContact OD1-NE 4Å; D135-R260 PolarHBondContact OD1-NE 2.86Å; D135-R260 IonicContact OD1-NH2 2.65Å; D135-R260 PolarHBondContact OD1-NH2 3.04Å; D135-R260 WeakPolarHBondContact OD2-CB 3.42Å; D135-R260 PolarHBondContact OD2-N 3.06Å; D135-R260 IonicContact OD2-NE 2.71Å; D170-R260 PolarHBondContact O-NH2 3.32Å; D170-R260 IonicContact OD1-CZ 2.87Å; D170-R260 IonicContact OD1-NH1 3.62Å; D170-R260 PolarHBondContact OD1-NH1 2.72Å; D170-R260 IonicContact OD1-NH2 3.92Å; D170-R260 PolarHBondContact OD1-NH2 3.43Å; D170-R260 IonicContact OD2-CZ 3.61Å; D170-R260 IonicContact OD2-NH1 3.73Å; D170-R260 PolarHBondContact OD2-NH1 2.97Å; D170-R260 IonicContact OD2-NH2 3.6Å; G258-R260 PolarHBondContact O-N 3.35Å; R260-E262 VanDerWaalsContact C-N 3.34Å; R260-A263 HydrophobicContact CB-CB 3.91Å; R260-R265 PolarHBondContact O-NE 3.02Å; R260-R265 VanDerWaalsContact O-NE 3.12Å; R260-R265 PolarHBondContact O-NH2 3.4Å
261	P	82.1	Confident	93.4	Very high	85 Å²	85	28.2 Å²	28.2	55%	0.552	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-34.5	178.4	23.4	-28.9	0	0	0	112.6	A263	P261-A263 VanDerWaalsContact C-N 3.34Å; P261-A263 PolarHBondContact O-N 3.46Å
262	E	79	Confident	93.1	Very high	66 Å²	66	28.7 Å²	28.7	31%	0.308	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-3.3	-178.2	69.1	-80.4	-175.9	0	0	114.9	R260 G446 N448	R260-E262 VanDerWaalsContact C-N 3.34Å; E262-G446 CarbonylContact O-C 3.58Å; E262-N448 HydrophobicContact CB-CB 3.92Å
263	A	87.1	Confident	93	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.033	14%	0.144	C	C	.	.	S	Bend	trans	-100.6	149.1	-176.8	0	0	0	0	0	112.7	P133 D135 R260 P261	P133-A263 HydrophobicContact CB-CB 3.95Å; P133-A263 WeakPolarHBondContact O-CA 3.2Å; D135-A263 HydrophobicContact CB-CB 4.4Å; D135-A263 WeakPolarHBondContact OD1-CB 3.4Å; R260-A263 HydrophobicContact CB-CB 3.91Å; P261-A263 VanDerWaalsContact C-N 3.34Å; P261-A263 PolarHBondContact O-N 3.46Å
264	K	87.6	Confident	92.9	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.017	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.7	165.4	-69	-66.1	-169.2	178.2	0	108.8	Y132 P133 V134 D135 L372 E375 V445	Y132-K264 HydrophobicContact CD1-CG 4.36Å; Y132-K264 HydrophobicContact CG-CG 4.29Å; P133-K264 PolarHBondContact O-N 2.92Å; V134-K264 WeakPolarHBondContact CA-O 3.41Å; D135-K264 PolarHBondContact N-O 2.04Å; K264-L372 HydrophobicContact CB-CD2 3.83Å; K264-L372 HydrophobicContact CB-CG 4.37Å; K264-L372 HydrophobicContact CD-CD1 4.25Å; K264-L372 HydrophobicContact CD-CD2 4.41Å; K264-L372 HydrophobicContact CD-CG 4.15Å; K264-L372 HydrophobicContact CG-CD2 4.45Å; K264-L372 HydrophobicContact CG-CG 4.48Å; K264-E375 PolarHBondContact NZ-O 3.14Å; K264-V445 WeakPolarHBondContact CE-O 3.32Å; K264-V445 PolarHBondContact NZ-O 2.86Å
265	R	92.3	Very high	93	Very high	24 Å²	24	28.2 Å²	28.2	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	117	-169.5	-56.9	171.5	-177.8	-171.1	-14.8	110.9	Q254 W259 R260 N322 I324 Y325	Q254-R265 VanDerWaalsContact OE1-CZ 3.32Å; W259-R265 HydrophobicContact CD2-CG 4.38Å; W259-R265 HydrophobicContact CE3-CB 3.73Å; W259-R265 HydrophobicContact CE3-CG 3.62Å; W259-R265 HydrophobicContact CH2-CB 4.36Å; W259-R265 HydrophobicContact CZ3-CB 3.61Å; W259-R265 HydrophobicContact CZ3-CG 4.03Å; R260-R265 PolarHBondContact O-NE 3.02Å; R260-R265 VanDerWaalsContact O-NE 3.12Å; R260-R265 PolarHBondContact O-NH2 3.4Å; R265-N322 WeakPolarHBondContact CD-O 3.38Å; R265-N322 PolarHBondContact NH1-O 3.15Å; R265-I324 HydrophobicContact CB-CG1 3.99Å; R265-Y325 PolarHBondContact O-N 3.09Å
266	L	95	Very high	93.1	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126	176	-69.5	174.2	0	0	0	109.9	V134 D135 L136 Y137 W259 Y325 I327 Y369 L372	V134-L266 HydrophobicContact CG1-CD1 4.08Å; D135-L266 PolarHBondContact O-N 3.43Å; L136-L266 WeakPolarHBondContact CA-O 3.46Å; L136-L266 HydrophobicContact CD1-CB 3.72Å; Y137-L266 PolarHBondContact N-O 3.31Å; W259-L266 WeakPolarHBondContact CH2-O 3.44Å; L266-Y325 WeakPolarHBondContact CA-O 3.49Å; L266-I327 HydrophobicContact CD1-CD1 4.48Å; L266-I327 HydrophobicContact CD2-CD1 4.13Å; L266-I327 HydrophobicContact CD2-CG1 4.46Å; L266-Y369 HydrophobicContact CD1-CD2 4.48Å; L266-L372 HydrophobicContact CD2-CD2 3.58Å; L266-L372 HydrophobicContact CG-CD2 3.95Å
267	L	97.3	Very high	93.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	110.4	173.9	-173.2	158.3	0	0	0	108.8	L139 M247 A250 L269 I324 Y325 S326 I327	L139-L267 HydrophobicContact CB-CD2 4.25Å; L139-L267 HydrophobicContact CD2-CD2 4.13Å; M247-L267 HydrophobicContact CE-CD2 4.09Å; M247-L267 HydrophobicContact CG-CD2 4.04Å; A250-L267 HydrophobicContact CB-CD1 3.98Å; L267-L269 HydrophobicContact CD2-CB 4.46Å; L267-I324 HydrophobicContact CB-CG2 3.54Å; L267-I324 HydrophobicContact CD1-CG2 4.16Å; L267-Y325 PolarHBondContact N-O 3.06Å; L267-S326 CarbonylContact O-C 3.47Å; L267-S326 VanDerWaalsContact O-CA 3.32Å; L267-S326 WeakPolarHBondContact O-CA 3.32Å; L267-I327 PolarHBondContact O-N 2.99Å
268	L	96.6	Very high	93.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	101.7	-179.6	175.9	62.7	0	0	0	109.8	L136 Y137 Y138 L139 L160 M270 I327 A329 L361 V365	L136-L268 HydrophobicContact CD1-CB 4.11Å; Y137-L268 PolarHBondContact O-N 2.87Å; Y138-L268 HydrophobicContact CD1-CD2 3.79Å; Y138-L268 HydrophobicContact CE1-CD2 3.67Å; L139-L268 PolarHBondContact N-O 2.97Å; L160-L268 HydrophobicContact CD2-CD2 4.3Å; L268-M270 HydrophobicContact CD1-CG 4.31Å; L268-M270 HydrophobicContact CD2-CG 4.27Å; L268-M270 HydrophobicContact CD2-SD 3.92Å; L268-M270 HydrophobicContact CG-CG 3.83Å; L268-M270 HydrophobicContact CG-SD 4.15Å; L268-I327 CarbonylContact C-O 3.44Å; L268-I327 HydrophobicContact CD1-CB 3.85Å; L268-I327 HydrophobicContact CD1-CG2 3.69Å; L268-A329 HydrophobicContact CD1-CB 3.67Å; L268-L361 HydrophobicContact CD1-CD1 4.26Å; L268-L361 HydrophobicContact CD2-CD1 4.26Å; L268-V365 HydrophobicContact CD1-CG2 4.13Å; L268-V365 HydrophobicContact CD2-CG2 4.03Å
269	L	96.4	Very high	93.2	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	128	170.5	-175.1	78	0	0	0	109.6	L139 F178 M247 L267 T271 I327 F328 A329 Y338	L139-L269 HydrophobicContact CB-CD1 4.44Å; L139-L269 HydrophobicContact CD2-CD1 3.74Å; L139-L269 HydrophobicContact CG-CD1 4.06Å; L139-L269 CarbonylContact O-C 3.57Å; L139-L269 WeakPolarHBondContact O-CA 3.45Å; F178-L269 HydrophobicContact CD1-CD1 4.47Å; F178-L269 HydrophobicContact CE1-CD1 3.47Å; F178-L269 VanDerWaalsContact CE1-CD1 3.47Å; F178-L269 HydrophobicContact CZ-CD1 3.64Å; M247-L269 HydrophobicContact CG-CD1 3.91Å; M247-L269 HydrophobicContact SD-CB 4.3Å; M247-L269 HydrophobicContact SD-CD1 4.16Å; M247-L269 HydrophobicContact SD-CD2 3.78Å; M247-L269 HydrophobicContact SD-CG 4.3Å; L267-L269 HydrophobicContact CD2-CB 4.46Å; L269-T271 HydrophobicContact CD2-CG2 4.35Å; L269-I327 PolarHBondContact N-O 3.06Å; L269-F328 HydrophobicContact CB-CD1 4.4Å; L269-F328 HydrophobicContact CD2-CD1 3.54Å; L269-F328 HydrophobicContact CD2-CE1 3.56Å; L269-A329 WeakPolarHBondContact O-CB 3.48Å; L269-A329 PolarHBondContact O-N 3.27Å; L269-Y338 HydrophobicContact CD2-CE1 4.23Å
270	M	94.1	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.5	179	-52.7	-177.5	67.4	0	0	110.2	Y138 L139 V140 D141 L153 L268 A329 F356 L361	Y138-M270 HydrophobicContact CD1-SD 4.1Å; L139-M270 PolarHBondContact O-N 3.45Å; V140-M270 HydrophobicContact CG1-CB 4.48Å; V140-M270 HydrophobicContact CG2-CB 4.42Å; V140-M270 HydrophobicContact CG2-CG 4.41Å; V140-M270 HydrophobicContact CG2-SD 3.98Å; D141-M270 WeakPolarHBondContact CB-O 3.45Å; D141-M270 PolarHBondContact N-O 3.27Å; L153-M270 HydrophobicContact CD1-CE 3.58Å; L153-M270 HydrophobicContact CD1-SD 3.92Å; L153-M270 HydrophobicContact CD2-CE 4.08Å; L153-M270 HydrophobicContact CD2-SD 3.94Å; L153-M270 HydrophobicContact CG-CE 4.4Å; L268-M270 HydrophobicContact CD1-CG 4.31Å; L268-M270 HydrophobicContact CD2-CG 4.27Å; L268-M270 HydrophobicContact CD2-SD 3.92Å; L268-M270 HydrophobicContact CG-CG 3.83Å; L268-M270 HydrophobicContact CG-SD 4.15Å; M270-A329 WeakPolarHBondContact CA-O 3.12Å; M270-A329 HydrophobicContact CG-CB 4.18Å; M270-F356 HydrophobicContact CB-CE1 3.87Å; M270-F356 HydrophobicContact CB-CZ 4.16Å; M270-F356 HydrophobicContact CE-CD1 3.21Å; M270-F356 HydrophobicContact CE-CE1 3.36Å; M270-F356 HydrophobicContact CE-CG 4.16Å; M270-F356 HydrophobicContact CE-CZ 4.38Å; M270-F356 HydrophobicContact CG-CE1 4.31Å; M270-L361 HydrophobicContact CE-CD1 4.28Å; M270-L361 HydrophobicContact CE-CD2 3.56Å
271	T	94.3	Very high	93.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	154.2	-179.9	179.7	0	0	0	0	111.8	D141 L269 Q273 A329 V330 E331 Y338	D141-T271 PolarHBondContact OD2-OG1 3.23Å; L269-T271 HydrophobicContact CD2-CG2 4.35Å; T271-Q273 WeakPolarHBondContact CG2-O 3.41Å; T271-Q273 PolarHBondContact OG1-N 3.06Å; T271-Q273 VanDerWaalsContact OG1-N 3.08Å; T271-Q273 PolarHBondContact OG1-O 2.73Å; T271-A329 PolarHBondContact N-O 3.23Å; T271-V330 HydrophobicContact CG2-CG1 4.24Å; T271-V330 WeakPolarHBondContact O-CA 3.4Å; T271-E331 PolarHBondContact O-N 2.97Å; T271-Y338 HydrophobicContact CG2-CE2 4.22Å; T271-Y338 VanDerWaalsContact CG2-OH 3.3Å; T271-Y338 WeakPolarHBondContact CG2-OH 3.41Å
272	D	93	Very high	94.4	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.048	15%	0.152	C	C	.	.	S	Bend	trans	-104.4	2.8	171.7	61.9	0	0	0	0	113.4	S145 M146 E331 Q334	S145-D272 WeakPolarHBondContact CB-OD2 3.39Å; S145-D272 VanDerWaalsContact OG-CG 3.3Å; S145-D272 PolarHBondContact OG-OD1 3.34Å; S145-D272 PolarHBondContact OG-OD2 2.89Å; S145-D272 VanDerWaalsContact OG-OD2 3.04Å; M146-D272 PolarHBondContact N-OD2 3.04Å; M146-D272 HydrophobicContact SD-CB 3.84Å; D272-E331 HydrophobicContact CB-CB 3.91Å; D272-E331 WeakPolarHBondContact CB-OE2 3.49Å; D272-Q334 WeakPolarHBondContact O-CG 3.28Å
273	Q	94.4	Very high	95.2	Very high	35 Å²	35	34.8 Å²	34.8	16%	0.164	17%	0.173	C	C	.	.	S	Bend	trans	-124	161.2	-179.5	-63.5	-49.4	-26	0	0	113.8	T239 E241 T271 Y338	T239-Q273 WeakPolarHBondContact O-CB 3.45Å; T239-Q273 WeakPolarHBondContact O-CG 3.41Å; E241-Q273 HydrophobicContact CG-CB 3.78Å; E241-Q273 HydrophobicContact CG-CG 4.29Å; T271-Q273 WeakPolarHBondContact CG2-O 3.41Å; T271-Q273 PolarHBondContact OG1-N 3.06Å; T271-Q273 VanDerWaalsContact OG1-N 3.08Å; T271-Q273 PolarHBondContact OG1-O 2.73Å; Q273-Y338 WeakPolarHBondContact O-CE2 3.41Å; Q273-Y338 PolarHBondContact O-OH 3.1Å
274	P	95.6	Very high	95.7	Very high	20 Å²	20	35.8 Å²	35.8	13%	0.13	18%	0.181	C	C	.	.			trans	-62.1	166.7	166.1	-18	32.9	0	0	0	111.4	P240 E241 W337	P240-P274 CarbonylContact C-O 3.54Å; P240-P274 VanDerWaalsContact CA-O 3.32Å; P240-P274 WeakPolarHBondContact CA-O 3.33Å; E241-P274 PolarHBondContact N-O 3.18Å; P274-W337 HydrophobicContact CB-CD2 4.04Å; P274-W337 HydrophobicContact CB-CE3 4.29Å; P274-W337 HydrophobicContact CB-CG 4.47Å; P274-W337 HydrophobicContact CB-CZ2 4.31Å
275	S	96.7	Very high	96.1	Very high	4 Å²	4	38.4 Å²	38.4	3%	0.028	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-112.2	146	171.8	-166.3	0	0	0	0	111.4	E241 G243 L244 W337	E241-S275 CarbonylContact O-C 3.4Å; E241-S275 WeakPolarHBondContact O-CA 3.29Å; E241-S275 WeakPolarHBondContact O-CB 3.35Å; E241-S275 PolarHBondContact O-OG 3.32Å; G243-S275 PolarHBondContact N-OG 3.2Å; G243-S275 VanDerWaalsContact N-OG 3.11Å; L244-S275 PolarHBondContact N-OG 3.48Å; L244-S275 VanDerWaalsContact N-OG 3.09Å; S275-W337 VanDerWaalsContact N-CH2 3.34Å; S275-W337 WeakPolarHBondContact O-CH2 3.3Å; S275-W337 VanDerWaalsContact O-CZ2 3.24Å; S275-W337 WeakPolarHBondContact O-CZ2 3.39Å
276	H	97.9	Very high	96.4	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.046	21%	0.208	C	C	.	.			trans	-58.7	148.4	169.3	-81.7	-62	0	0	0	112.4	D180 F186 D238 P240 E241 D280 H309	D180-H276 IonicContact OD1-CD2 3.62Å; D180-H276 IonicContact OD2-CD2 2.89Å; D180-H276 PolarHBondContact OD2-CD2 3.49Å; D180-H276 IonicContact OD2-NE2 3.39Å; D180-H276 PolarHBondContact OD2-NE2 2.91Å; F186-H276 AromaticContact CD1-NE2 3.51Å; F186-H276 AromaticContact CE1-CE1 3.74Å; F186-H276 AromaticContact CE1-NE2 3.6Å; D238-H276 IonicContact OD2-CE1 2.77Å; D238-H276 PolarHBondContact OD2-CE1 3.14Å; D238-H276 IonicContact OD2-NE2 3.29Å; D238-H276 PolarHBondContact OD2-NE2 3.28Å; P240-H276 PolarHBondContact O-NE2 3.15Å; E241-H276 PolarHBondContact O-N 3.26Å; H276-D280 WeakPolarHBondContact CA-OD2 3.45Å; H276-D280 HydrophobicContact CB-CB 4.31Å; H276-D280 IonicContact CG-OD2 3.49Å; H276-D280 IonicContact ND1-OD2 3.2Å; H276-D280 PolarHBondContact ND1-OD2 3.15Å; H276-H309 WeakPolarHBondContact CB-CE1 3.42Å; H276-H309 VanDerWaalsContact CB-NE2 3.27Å; H276-H309 WeakPolarHBondContact CB-NE2 3.24Å; H276-H309 AromaticContact CG-CE1 3.99Å; H276-H309 AromaticContact CG-NE2 3.68Å
277	L	97.1	Very high	96.5	Very high	64 Å²	64	42.9 Å²	42.9	34%	0.335	24%	0.239	S	C	.	.			trans	-110.3	164.1	178.2	-60	179.2	0	0	0	110.6	L244 L279 D280 L312 W337	L244-L277 HydrophobicContact CD1-CD2 3.76Å; L277-L279 PolarHBondContact O-N 3.05Å; L277-D280 PolarHBondContact N-OD2 3.26Å; L277-D280 VanDerWaalsContact O-CB 3.27Å; L277-D280 WeakPolarHBondContact O-CB 3.44Å; L277-D280 PolarHBondContact O-N 3.04Å; L277-D280 VanDerWaalsContact O-N 3.14Å; L277-L312 HydrophobicContact CD2-CD2 4.36Å; L277-W337 HydrophobicContact CD2-CH2 4.3Å; L277-W337 HydrophobicContact CD2-CZ2 4.24Å; L277-W337 HydrophobicContact CG-CZ2 4.41Å
278	A	97.8	Very high	96.6	Very high	32 Å²	32	46.7 Å²	46.7	26%	0.264	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	143.6	169.9	0	0	0	0	0	110.9	D280 H309	A278-D280 VanDerWaalsContact C-N 3.32Å; A278-H309 WeakPolarHBondContact CA-O 3.35Å; A278-H309 WeakPolarHBondContact CB-O 3.17Å
279	L	97.7	Very high	96.6	Very high	134 Å²	134	51.3 Å²	51.3	70%	0.702	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-12.6	-172.9	-48	175.9	0	0	0	115.6	L277 S281 R282 D308	L277-L279 PolarHBondContact O-N 3.05Å; L279-S281 VanDerWaalsContact C-N 3.3Å; L279-S281 PolarHBondContact O-N 2.91Å; L279-R282 WeakPolarHBondContact O-CB 3Å; L279-R282 PolarHBondContact O-N 3.34Å; L279-D308 WeakPolarHBondContact CA-OD2 3.21Å; L279-D308 PolarHBondContact N-OD1 2.81Å; L279-D308 PolarHBondContact N-OD2 3.39Å
280	D	97.9	Very high	96.7	Very high	56 Å²	56	52.1 Å²	52.1	30%	0.299	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.4	-33.7	176.2	-71.9	-10.5	0	0	0	111.6	H276 L277 A278 R282 L283	H276-D280 WeakPolarHBondContact CA-OD2 3.45Å; H276-D280 HydrophobicContact CB-CB 4.31Å; H276-D280 IonicContact CG-OD2 3.49Å; H276-D280 IonicContact ND1-OD2 3.2Å; H276-D280 PolarHBondContact ND1-OD2 3.15Å; L277-D280 PolarHBondContact N-OD2 3.26Å; L277-D280 VanDerWaalsContact O-CB 3.27Å; L277-D280 WeakPolarHBondContact O-CB 3.44Å; L277-D280 PolarHBondContact O-N 3.04Å; L277-D280 VanDerWaalsContact O-N 3.14Å; A278-D280 VanDerWaalsContact C-N 3.32Å; D280-R282 PolarHBondContact O-N 3.18Å; D280-L283 PolarHBondContact O-N 2.9Å; D280-L283 VanDerWaalsContact O-N 3.15Å
281	S	97.7	Very high	96.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-68.2	-9.1	179.3	-55	0	0	0	0	114.2	K181 L279 L283 A284 G285 I286 D308 H309	K181-S281 WeakPolarHBondContact CD-OG 3.04Å; K181-S281 WeakPolarHBondContact CE-OG 3.38Å; L279-S281 VanDerWaalsContact C-N 3.3Å; L279-S281 PolarHBondContact O-N 2.91Å; S281-L283 PolarHBondContact O-N 3.02Å; S281-A284 WeakPolarHBondContact O-CA 3.5Å; S281-A284 PolarHBondContact O-N 3.03Å; S281-G285 PolarHBondContact O-N 3.24Å; S281-I286 CarbonylContact C-O 3.45Å; S281-I286 VanDerWaalsContact C-O 3.24Å; S281-I286 PolarHBondContact O-N 2.98Å; S281-D308 WeakPolarHBondContact CB-OD1 3.48Å; S281-D308 PolarHBondContact N-OD1 2.98Å; S281-D308 PolarHBondContact OG-OD1 3.01Å; S281-D308 VanDerWaalsContact OG-OD1 3.06Å; S281-H309 PolarHBondContact OG-CD2 3.5Å; S281-H309 PolarHBondContact OG-NE2 2.99Å
282	R	97.3	Very high	97	Very high	192 Å²	192	55.8 Å²	55.8	73%	0.725	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-57.7	-31.7	170.9	-174.2	177.8	175.3	-173.9	-1	111.7	L279 D280 A284 G285 I286 V287	L279-R282 WeakPolarHBondContact O-CB 3Å; L279-R282 PolarHBondContact O-N 3.34Å; D280-R282 PolarHBondContact O-N 3.18Å; R282-A284 PolarHBondContact O-N 3.04Å; R282-G285 PolarHBondContact O-N 2.88Å; R282-G285 VanDerWaalsContact O-N 3.09Å; R282-I286 WeakPolarHBondContact CA-O 3.41Å; R282-I286 PolarHBondContact N-O 2.79Å; R282-V287 HydrophobicContact CG-CG1 4.42Å
283	L	96.4	Very high	97.3	Very high	141 Å²	141	63.8 Å²	63.8	74%	0.738	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-63.6	-29.9	175.6	-64.2	176.9	0	0	0	112.6	P185 D280 S281 G285	P185-L283 HydrophobicContact CG-CB 4.23Å; D280-L283 PolarHBondContact O-N 2.9Å; D280-L283 VanDerWaalsContact O-N 3.15Å; S281-L283 PolarHBondContact O-N 3.02Å; L283-G285 VanDerWaalsContact C-N 3.33Å
284	A	96.2	Very high	97.5	Very high	26 Å²	26	64.9 Å²	64.9	22%	0.215	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-89.8	6.6	175.6	0	0	0	0	0	113.5	V183 S184 F186 S281 R282 I286	V183-A284 HydrophobicContact CG2-CB 3.75Å; S184-A284 WeakPolarHBondContact O-CA 3.45Å; S184-A284 WeakPolarHBondContact O-CB 2.85Å; F186-A284 HydrophobicContact CD2-CB 4.16Å; F186-A284 HydrophobicContact CE2-CB 3.45Å; F186-A284 VanDerWaalsContact CE2-CB 3.45Å; F186-A284 HydrophobicContact CZ-CB 4.18Å; S281-A284 WeakPolarHBondContact O-CA 3.5Å; S281-A284 PolarHBondContact O-N 3.03Å; R282-A284 PolarHBondContact O-N 3.04Å; A284-I286 VanDerWaalsContact C-N 3.26Å; A284-I286 HydrophobicContact CB-CD1 4.4Å; A284-I286 HydrophobicContact CB-CG1 4.46Å; A284-I286 PolarHBondContact O-N 3.35Å
285	G	97.4	Very high	97.6	Very high	59 Å²	59	66.4 Å²	66.4	61%	0.608	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	11.1	-176.1	0	0	0	0	0	114.4	S281 R282 L283	S281-G285 PolarHBondContact O-N 3.24Å; R282-G285 PolarHBondContact O-N 2.88Å; R282-G285 VanDerWaalsContact O-N 3.09Å; L283-G285 VanDerWaalsContact C-N 3.33Å
286	I	98.1	Very high	97.6	Very high	13 Å²	13	67.9 Å²	67.9	7%	0.067	37%	0.37	C	S	.	.			trans	-91.6	114	174.9	-58.1	169.4	0	0	0	108	K181 V183 S281 R282 A284	K181-I286 HydrophobicContact CD-CD1 4.38Å; V183-I286 HydrophobicContact CG2-CD1 4.15Å; S281-I286 CarbonylContact C-O 3.45Å; S281-I286 VanDerWaalsContact C-O 3.24Å; S281-I286 PolarHBondContact O-N 2.98Å; R282-I286 WeakPolarHBondContact CA-O 3.41Å; R282-I286 PolarHBondContact N-O 2.79Å; A284-I286 VanDerWaalsContact C-N 3.26Å; A284-I286 HydrophobicContact CB-CD1 4.4Å; A284-I286 HydrophobicContact CB-CG1 4.46Å; A284-I286 PolarHBondContact O-N 3.35Å
287	V	97.3	Very high	97.5	Very high	106 Å²	106	72.2 Å²	72.2	64%	0.642	39%	0.394	S	S	*	.			trans	-120.7	4.1	-176.1	-62.1	0	0	0	0	113	R282 P289	R282-V287 HydrophobicContact CG-CG1 4.42Å; V287-P289 WeakPolarHBondContact O-CD 3.34Å
288	T	98.1	Very high	97.3	Very high	79 Å²	79	74.1 Å²	74.1	49%	0.485	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-84.9	117.5	177.3	-48.8	0	0	0	0	108.6	K306 M307 D308	T288-K306 WeakPolarHBondContact CB-O 3.42Å; T288-K306 PolarHBondContact OG1-O 2.78Å; T288-M307 CarbonylContact O-C 3.56Å; T288-M307 WeakPolarHBondContact O-CA 2.99Å; T288-D308 WeakPolarHBondContact O-CB 3.11Å; T288-D308 PolarHBondContact O-N 3.36Å
289	P	98.1	Very high	97.2	Very high	98 Å²	98	76 Å²	76	64%	0.636	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-60	152.2	175.9	-22.4	34	0	0	0	111.9	V287 D291	V287-P289 WeakPolarHBondContact O-CD 3.34Å; P289-D291 PolarHBondContact O-N 2.87Å
290	H	98.2	Very high	97.1	Very high	16 Å²	16	72.4 Å²	72.4	7%	0.074	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-65	131.7	174.1	-163.6	-65.6	0	0	0	110.8	D245 L248 Q249 G292 Y301 P310 L314	D245-H290 IonicContact OD1-CD2 2.74Å; L248-H290 WeakPolarHBondContact CD2-CE1 3.48Å; L248-H290 WeakPolarHBondContact CD2-ND1 3.32Å; Q249-H290 PolarHBondContact NE2-CE1 2.55Å; Q249-H290 PolarHBondContact NE2-NE2 3.14Å; H290-G292 PolarHBondContact ND1-N 3.08Å; H290-Y301 PolarHBondContact CD2-OH 2.87Å; H290-Y301 PolarHBondContact NE2-OH 2.93Å; H290-P310 HydrophobicContact CB-CB 4.33Å; H290-L314 HydrophobicContact CB-CD2 4.01Å; H290-L314 WeakPolarHBondContact O-CD2 3.45Å
291	D	97.6	Very high	97.1	Very high	71 Å²	71	70 Å²	70	38%	0.38	39%	0.388	S	S	.	.			trans	-87.7	-9.3	-172.6	71.2	-7	0	0	0	114.8	P289 R293 H295 M307	P289-D291 PolarHBondContact O-N 2.87Å; D291-R293 VanDerWaalsContact C-N 3.33Å; D291-R293 WeakPolarHBondContact OD1-CB 3.41Å; D291-R293 PolarHBondContact OD1-N 2.84Å; D291-H295 IonicContact OD1-CD2 3.55Å; D291-H295 IonicContact OD1-CE1 3.97Å; D291-H295 IonicContact OD1-NE2 3.84Å; D291-H295 PolarHBondContact OD1-NE2 3.12Å; D291-H295 IonicContact OD2-CE1 3.3Å; D291-H295 PolarHBondContact OD2-CE1 2.96Å; D291-H295 VanDerWaalsContact OD2-CE1 3.27Å; D291-H295 IonicContact OD2-NE2 2.69Å; D291-H295 PolarHBondContact OD2-NE2 2.79Å; D291-M307 HydrophobicContact CB-SD 4.4Å
292	G	97.7	Very high	97.1	Very high	7 Å²	7	72.9 Å²	72.9	7%	0.072	41%	0.406	C	S	.	.	S	Bend	trans	78.2	17.7	178.3	0	0	0	0	0	113.6	V252 H290	V252-G292 WeakPolarHBondContact CG1-O 3.2Å; H290-G292 PolarHBondContact ND1-N 3.08Å
293	R	98	Very high	97	Very high	176 Å²	176	63.9 Å²	63.9	66%	0.664	37%	0.373	S	S	*	.	S	Bend	trans	-109.5	165.6	-179.5	-60.2	179.4	176	177.6	-1.3	111.8	Q249 V252 D291 H295	Q249-R293 PolarHBondContact NE2-O 2.95Å; V252-R293 VanDerWaalsContact CG2-C 3.48Å; V252-R293 WeakPolarHBondContact CG2-O 3.28Å; D291-R293 VanDerWaalsContact C-N 3.33Å; D291-R293 WeakPolarHBondContact OD1-CB 3.41Å; D291-R293 PolarHBondContact OD1-N 2.84Å; R293-H295 PolarHBondContact O-CD2 2.88Å
294	C	98.1	Very high	97	Very high	58 Å²	58	57.3 Å²	57.3	39%	0.392	34%	0.338	S	S	.	.			trans	-78.8	127.9	176.5	-179	0	0	0	0	111.2	V252 C253	V252-C294 HydrophobicContact CG2-CB 4.16Å; C253-C294 WeakPolarHBondContact CA-SG 3.34Å; C253-C294 HydrophobicContact CB-CB 3.97Å; C253-C294 WeakPolarHBondContact CB-SG 3.22Å; C253-C294 WeakPolarHBondContact SG-CA 3.47Å; C253-C294 WeakPolarHBondContact SG-CB 3.26Å; C253-C294 CovalentContact SG-SG 2.03Å; C253-C294 PolarHBondContact SG-SG 3.21Å
295	H	97.8	Very high	97	Very high	53 Å²	53	59 Å²	59	25%	0.245	35%	0.346	C	S	.	.			trans	-130.5	36.8	179.5	-63.2	-83.7	0	0	0	112.4	D291 R293 Y301 T302 M307	D291-H295 IonicContact OD1-CD2 3.55Å; D291-H295 IonicContact OD1-CE1 3.97Å; D291-H295 IonicContact OD1-NE2 3.84Å; D291-H295 PolarHBondContact OD1-NE2 3.12Å; D291-H295 IonicContact OD2-CE1 3.3Å; D291-H295 PolarHBondContact OD2-CE1 2.96Å; D291-H295 VanDerWaalsContact OD2-CE1 3.27Å; D291-H295 IonicContact OD2-NE2 2.69Å; D291-H295 PolarHBondContact OD2-NE2 2.79Å; R293-H295 PolarHBondContact O-CD2 2.88Å; H295-Y301 HydrophobicContact CB-CD2 3.92Å; H295-Y301 HydrophobicContact CB-CE2 3.83Å; H295-T302 PolarHBondContact O-N 3.45Å; H295-T302 PolarHBondContact O-OG1 2.73Å; H295-M307 HydrophobicContact CB-CE 4.36Å; H295-M307 WeakPolarHBondContact CD2-CE 3.41Å; H295-M307 WeakPolarHBondContact NE2-CE 3.44Å
296	L	96.9	Very high	97	Very high	34 Å²	34	62.7 Å²	62.7	18%	0.178	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122.8	171.2	-69.3	-179.9	0	0	0	110.4	F211 H213 C253 A256 V300	F211-L296 HydrophobicContact CD1-CD2 3.84Å; F211-L296 HydrophobicContact CE1-CD1 4.19Å; F211-L296 HydrophobicContact CE1-CD2 3.83Å; F211-L296 HydrophobicContact CE1-CG 4.47Å; H213-L296 HydrophobicContact CB-CD1 4.07Å; C253-L296 HydrophobicContact CB-CD1 3.7Å; C253-L296 HydrophobicContact CB-CG 4.32Å; C253-L296 VanDerWaalsContact SG-CD1 3.6Å; C253-L296 VanDerWaalsContact SG-CG 3.53Å; A256-L296 HydrophobicContact CB-CD1 3.89Å; L296-V300 WeakPolarHBondContact CA-O 3.4Å
297	D	95.6	Very high	97	Very high	102 Å²	102	62.8 Å²	62.8	55%	0.545	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.4	164.1	-179.6	15.5	0	0	0	108.1	N299 V300 T302	D297-N299 PolarHBondContact O-N 2.81Å; D297-N299 VanDerWaalsContact O-N 3.08Å; D297-V300 PolarHBondContact N-O 3.48Å; D297-V300 PolarHBondContact O-N 3.34Å; D297-T302 HydrophobicContact CB-CG2 3.56Å
298	S	93.1	Very high	97.1	Very high	103 Å²	103	58.2 Å²	58.2	72%	0.72	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	38.7	-177.6	-57.4	0	0	0	0	112.7	V300	S298-V300 VanDerWaalsContact C-N 3.26Å; S298-V300 PolarHBondContact O-N 3.16Å
299	N	95.3	Very high	97.1	Very high	73 Å²	73	54.5 Å²	54.5	39%	0.39	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	14.1	-176.5	-56	-32.5	0	0	0	116.6	H213 D297	H213-N299 HydrophobicContact CB-CB 4.08Å; H213-N299 PolarHBondContact N-O 2.93Å; H213-N299 WeakPolarHBondContact O-CB 3.49Å; D297-N299 PolarHBondContact O-N 2.81Å; D297-N299 VanDerWaalsContact O-N 3.08Å
300	V	96.9	Very high	97.1	Very high	57 Å²	57	49.9 Å²	49.9	35%	0.345	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.5	177.1	177.7	0	0	0	0	110	L296 D297 S298 T302	L296-V300 WeakPolarHBondContact CA-O 3.4Å; D297-V300 PolarHBondContact N-O 3.48Å; D297-V300 PolarHBondContact O-N 3.34Å; S298-V300 VanDerWaalsContact C-N 3.26Å; S298-V300 PolarHBondContact O-N 3.16Å; V300-T302 PolarHBondContact O-N 3.07Å; V300-T302 VanDerWaalsContact O-N 3.14Å
301	Y	97.8	Very high	97.1	Very high	7 Å²	7	51.8 Å²	51.8	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	102.3	176.6	176	-143.7	0	0	0	111.8	F211 D245 Q249 H290 H295 G303 S304 M307	F211-Y301 HydrophobicContact CB-CD1 4.32Å; F211-Y301 WeakPolarHBondContact O-CB 3.46Å; F211-Y301 PolarHBondContact O-N 2.94Å; D245-Y301 HydrophobicContact CB-CE1 4.24Å; Q249-Y301 HydrophobicContact CG-CD1 4.11Å; Q249-Y301 HydrophobicContact CG-CD2 3.64Å; Q249-Y301 HydrophobicContact CG-CE1 4.24Å; Q249-Y301 HydrophobicContact CG-CE2 3.8Å; Q249-Y301 HydrophobicContact CG-CG 3.82Å; H290-Y301 PolarHBondContact CD2-OH 2.87Å; H290-Y301 PolarHBondContact NE2-OH 2.93Å; H295-Y301 HydrophobicContact CB-CD2 3.92Å; H295-Y301 HydrophobicContact CB-CE2 3.83Å; Y301-G303 VanDerWaalsContact CZ-C 3.42Å; Y301-S304 VanDerWaalsContact CE1-CA 3.41Å; Y301-S304 WeakPolarHBondContact O-CB 3.49Å; Y301-M307 HydrophobicContact CE2-CE 3.94Å; Y301-M307 WeakPolarHBondContact OH-CE 3.46Å
302	T	96.3	Very high	97	Very high	60 Å²	60	50.1 Å²	50.1	37%	0.368	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-18.2	-177.5	59.8	0	0	0	0	113.9	H295 D297 V300 S304	H295-T302 PolarHBondContact O-N 3.45Å; H295-T302 PolarHBondContact O-OG1 2.73Å; D297-T302 HydrophobicContact CB-CG2 3.56Å; V300-T302 PolarHBondContact O-N 3.07Å; V300-T302 VanDerWaalsContact O-N 3.14Å; T302-S304 VanDerWaalsContact C-N 3.27Å; T302-S304 PolarHBondContact O-N 3.41Å
303	G	96.3	Very high	96.9	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.031	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.1	176	0	0	0	0	0	114.1	Y301 T305 K306 M307	Y301-G303 VanDerWaalsContact CZ-C 3.42Å; G303-T305 PolarHBondContact O-N 3.3Å; G303-T305 VanDerWaalsContact O-N 3.12Å; G303-K306 PolarHBondContact O-N 3.17Å; G303-M307 PolarHBondContact O-N 3.48Å
304	S	96.5	Very high	96.9	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.021	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-38	-174	-175.1	0	0	0	0	113.7	K181 P182 Y301 T302	K181-S304 WeakPolarHBondContact CD-O 3.19Å; K181-S304 WeakPolarHBondContact CG-O 3.1Å; K181-S304 PolarHBondContact NZ-O 2.79Å; P182-S304 WeakPolarHBondContact CD-OG 3.3Å; Y301-S304 VanDerWaalsContact CE1-CA 3.41Å; Y301-S304 WeakPolarHBondContact O-CB 3.49Å; T302-S304 VanDerWaalsContact C-N 3.27Å; T302-S304 PolarHBondContact O-N 3.41Å
305	T	96.4	Very high	96.8	Very high	62 Å²	62	42.4 Å²	42.4	38%	0.38	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	4.6	-178.9	70.8	0	0	0	0	113.9	P182 V183 G303	P182-T305 HydrophobicContact CG-CG2 3.75Å; V183-T305 HydrophobicContact CG1-CG2 3.68Å; G303-T305 PolarHBondContact O-N 3.3Å; G303-T305 VanDerWaalsContact O-N 3.12Å
306	K	97.4	Very high	96.6	Very high	136 Å²	136	40.8 Å²	40.8	59%	0.591	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-28	-171.6	-62.4	180	-175.2	172.1	0	113.3	T288 G303	T288-K306 WeakPolarHBondContact CB-O 3.42Å; T288-K306 PolarHBondContact OG1-O 2.78Å; G303-K306 PolarHBondContact O-N 3.17Å
307	M	98.1	Very high	96.4	Very high	15 Å²	15	44.1 Å²	44.1	7%	0.074	26%	0.258	C	S	.	.	S	Bend	trans	-119.9	147	-179.2	-62.8	-178.6	-71.5	0	0	110.2	K181 T288 D291 H295 Y301 G303	K181-M307 PolarHBondContact NZ-O 2.93Å; T288-M307 CarbonylContact O-C 3.56Å; T288-M307 WeakPolarHBondContact O-CA 2.99Å; D291-M307 HydrophobicContact CB-SD 4.4Å; H295-M307 HydrophobicContact CB-CE 4.36Å; H295-M307 WeakPolarHBondContact CD2-CE 3.41Å; H295-M307 WeakPolarHBondContact NE2-CE 3.44Å; Y301-M307 HydrophobicContact CE2-CE 3.94Å; Y301-M307 WeakPolarHBondContact OH-CE 3.46Å; G303-M307 PolarHBondContact O-N 3.48Å
308	D	98.4	Very high	96.4	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.048	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-65.1	168.5	174.5	-163.2	2.4	0	0	0	111.2	L279 S281 T288	L279-D308 WeakPolarHBondContact CA-OD2 3.21Å; L279-D308 PolarHBondContact N-OD1 2.81Å; L279-D308 PolarHBondContact N-OD2 3.39Å; S281-D308 WeakPolarHBondContact CB-OD1 3.48Å; S281-D308 PolarHBondContact N-OD1 2.98Å; S281-D308 PolarHBondContact OG-OD1 3.01Å; S281-D308 VanDerWaalsContact OG-OD1 3.06Å; T288-D308 WeakPolarHBondContact O-CB 3.11Å; T288-D308 PolarHBondContact O-N 3.36Å
309	H	98.4	Very high	96.3	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-62.8	152.4	169.5	-60.4	-82.7	0	0	0	110.2	D180 K181 D245 H276 A278 S281	D180-H309 IonicContact OD1-CE1 3.92Å; K181-H309 WeakPolarHBondContact CE-CE1 3.35Å; K181-H309 WeakPolarHBondContact CE-ND1 3.33Å; K181-H309 WeakPolarHBondContact CE-NE2 3.44Å; D245-H309 IonicContact OD2-ND1 3.27Å; H276-H309 WeakPolarHBondContact CB-CE1 3.42Å; H276-H309 VanDerWaalsContact CB-NE2 3.27Å; H276-H309 WeakPolarHBondContact CB-NE2 3.24Å; H276-H309 AromaticContact CG-CE1 3.99Å; H276-H309 AromaticContact CG-NE2 3.68Å; A278-H309 WeakPolarHBondContact CA-O 3.35Å; A278-H309 WeakPolarHBondContact CB-O 3.17Å; S281-H309 PolarHBondContact OG-CD2 3.5Å; S281-H309 PolarHBondContact OG-NE2 2.99Å
310	P	98.2	Very high	95.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-71.1	147	178.5	30.2	-36.5	0	0	0	112	L244 D245 L248 H290 L314	L244-P310 HydrophobicContact CB-CG 4.01Å; L244-P310 WeakPolarHBondContact O-CG 3.38Å; D245-P310 VanDerWaalsContact OD1-CD 3.25Å; D245-P310 WeakPolarHBondContact OD1-CD 3.13Å; L248-P310 HydrophobicContact CB-CB 4.44Å; L248-P310 HydrophobicContact CB-CG 4.12Å; L248-P310 HydrophobicContact CD2-CB 3.41Å; L248-P310 VanDerWaalsContact CD2-CB 3.41Å; L248-P310 HydrophobicContact CD2-CG 3.95Å; H290-P310 HydrophobicContact CB-CB 4.33Å; P310-L314 HydrophobicContact CB-CD2 4.24Å
311	S	97.8	Very high	95.4	Very high	56 Å²	56	39.5 Å²	39.5	39%	0.392	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-69.8	152.4	167	71.7	0	0	0	0	109.8	G313 L314 L315	S311-G313 PolarHBondContact O-N 2.89Å; S311-L314 PolarHBondContact O-N 3.48Å; S311-L314 VanDerWaalsContact O-N 3.15Å; S311-L314 WeakPolarHBondContact OG-CB 3.17Å; S311-L314 PolarHBondContact OG-N 3.49Å; S311-L314 VanDerWaalsContact OG-N 3.15Å; S311-L315 PolarHBondContact O-N 2.88Å
312	L	96.1	Very high	95	Very high	35 Å²	35	40.4 Å²	40.4	18%	0.183	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-33.3	175.8	-64	178.7	0	0	0	112.1	L244 L277 L315 S316 L341 L344	L244-L312 HydrophobicContact CD1-CD2 3.75Å; L277-L312 HydrophobicContact CD2-CD2 4.36Å; L312-L315 PolarHBondContact O-N 3.02Å; L312-S316 VanDerWaalsContact O-CB 3.24Å; L312-S316 WeakPolarHBondContact O-CB 3.39Å; L312-S316 PolarHBondContact O-N 3.04Å; L312-L341 HydrophobicContact CD1-CG 4.17Å; L312-L341 HydrophobicContact CD2-CD1 3.87Å; L312-L341 HydrophobicContact CD2-CD2 4.2Å; L312-L341 HydrophobicContact CD2-CG 3.85Å; L312-L344 HydrophobicContact CD1-CD1 3.73Å
313	G	95.5	Very high	94.5	Very high	51 Å²	51	40.4 Å²	40.4	53%	0.526	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-47.1	174.4	0	0	0	0	0	112.4	S311 S316 E317	S311-G313 PolarHBondContact O-N 2.89Å; G313-S316 PolarHBondContact O-N 3.29Å; G313-E317 WeakPolarHBondContact O-CB 3.47Å; G313-E317 PolarHBondContact O-N 2.86Å
314	L	97	Very high	94.3	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-43.3	176.9	178.6	63.6	0	0	0	111.5	L248 H290 P310 S311 E317 K318	L248-L314 HydrophobicContact CD2-CD2 3.92Å; L248-L314 HydrophobicContact CD2-CG 4.23Å; H290-L314 HydrophobicContact CB-CD2 4.01Å; H290-L314 WeakPolarHBondContact O-CD2 3.45Å; P310-L314 HydrophobicContact CB-CD2 4.24Å; S311-L314 PolarHBondContact O-N 3.48Å; S311-L314 VanDerWaalsContact O-N 3.15Å; S311-L314 WeakPolarHBondContact OG-CB 3.17Å; S311-L314 PolarHBondContact OG-N 3.49Å; S311-L314 VanDerWaalsContact OG-N 3.15Å; L314-E317 PolarHBondContact O-N 2.72Å; L314-K318 HydrophobicContact CD1-CG 4.3Å; L314-K318 WeakPolarHBondContact O-CG 3.48Å; L314-K318 PolarHBondContact O-N 3.13Å
315	L	97.4	Very high	94.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-45.9	176.9	178.6	61	0	0	0	111.3	L244 M247 L248 S311 L312 E317 K318 L319 L345	L244-L315 HydrophobicContact CB-CD2 4.4Å; L244-L315 HydrophobicContact CD2-CD2 3.75Å; L244-L315 HydrophobicContact CG-CD2 4.5Å; M247-L315 HydrophobicContact CB-CD1 4.03Å; M247-L315 HydrophobicContact CB-CD2 4.5Å; M247-L315 HydrophobicContact CE-CD2 4.41Å; M247-L315 HydrophobicContact SD-CD2 4.46Å; L248-L315 HydrophobicContact CB-CD1 4.08Å; L248-L315 HydrophobicContact CD1-CD1 4.3Å; S311-L315 PolarHBondContact O-N 2.88Å; L312-L315 PolarHBondContact O-N 3.02Å; L315-E317 VanDerWaalsContact C-N 3.35Å; L315-E317 PolarHBondContact O-N 3.2Å; L315-K318 PolarHBondContact O-N 3.14Å; L315-L319 HydrophobicContact CD1-CD1 3.91Å; L315-L319 HydrophobicContact CD1-CG 3.96Å; L315-L319 HydrophobicContact CG-CD1 3.81Å; L315-L319 HydrophobicContact CG-CG 4.31Å; L315-L319 WeakPolarHBondContact O-CB 3.38Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 3.35Å; L315-L345 HydrophobicContact CD2-CD1 4.21Å; L315-L345 HydrophobicContact CD2-CD2 4.44Å; L315-L345 HydrophobicContact CG-CD2 4.41Å
316	S	93.9	Very high	94	Very high	19 Å²	19	39.7 Å²	39.7	13%	0.133	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-47	176.4	-178.5	0	0	0	0	111.6	L312 G313 L319 L320 P346	L312-S316 VanDerWaalsContact O-CB 3.24Å; L312-S316 WeakPolarHBondContact O-CB 3.39Å; L312-S316 PolarHBondContact O-N 3.04Å; G313-S316 PolarHBondContact O-N 3.29Å; S316-L319 PolarHBondContact O-N 2.71Å; S316-L320 WeakPolarHBondContact O-CB 3.43Å; S316-L320 VanDerWaalsContact O-CG 3.28Å; S316-L320 WeakPolarHBondContact O-CG 3.4Å; S316-L320 PolarHBondContact O-N 2.84Å; S316-P346 WeakPolarHBondContact OG-CD 3.27Å
317	E	92	Very high	94	Very high	103 Å²	103	33.3 Å²	33.3	48%	0.481	18%	0.181	S	C	.	.	H	α-helix	trans	-56.8	-51.9	177.4	-175.3	-165.5	140.8	0	0	110.7	G313 L314 L315 L319 L320 E321	G313-E317 WeakPolarHBondContact O-CB 3.47Å; G313-E317 PolarHBondContact O-N 2.86Å; L314-E317 PolarHBondContact O-N 2.72Å; L315-E317 VanDerWaalsContact C-N 3.35Å; L315-E317 PolarHBondContact O-N 3.2Å; E317-L319 PolarHBondContact O-N 3.22Å; E317-L320 PolarHBondContact O-N 3.36Å; E317-E321 VanDerWaalsContact O-CB 3.26Å; E317-E321 WeakPolarHBondContact O-CB 3.35Å; E317-E321 PolarHBondContact O-N 2.02Å
318	K	94.8	Very high	93.8	Very high	32 Å²	32	32.6 Å²	32.6	14%	0.139	18%	0.177	C	C	.	.	H	α-helix	trans	-71.3	-30.5	-176.8	-63.2	-49.8	175.4	-161.1	0	114	L248 V252 L314 L315 E321 N322	L248-K318 HydrophobicContact CD1-CB 3.62Å; L248-K318 HydrophobicContact CD1-CG 3.74Å; V252-K318 HydrophobicContact CG1-CB 3.85Å; V252-K318 HydrophobicContact CG1-CD 4.22Å; V252-K318 HydrophobicContact CG1-CG 3.82Å; L314-K318 HydrophobicContact CD1-CG 4.3Å; L314-K318 WeakPolarHBondContact O-CG 3.48Å; L314-K318 PolarHBondContact O-N 3.13Å; L315-K318 PolarHBondContact O-N 3.14Å; K318-E321 WeakPolarHBondContact CD-OE2 3.48Å; K318-E321 WeakPolarHBondContact CE-OE2 3.45Å; K318-E321 IonicContact NZ-OE1 3.67Å; K318-E321 IonicContact NZ-OE2 3.88Å; K318-E321 PolarHBondContact NZ-OE2 2.93Å; K318-N322 VanDerWaalsContact O-CB 3.32Å; K318-N322 WeakPolarHBondContact O-CB 3.41Å; K318-N322 PolarHBondContact O-N 2.78Å; K318-N322 VanDerWaalsContact O-N 3.13Å; K318-N322 PolarHBondContact O-ND2 3.44Å
319	L	92.8	Very high	93.6	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-66.4	-43.5	171.6	-72.7	171.1	0	0	0	111.3	M247 A251 L315 S316 E317 H323 I324	M247-L319 HydrophobicContact CE-CD1 4.28Å; A251-L319 HydrophobicContact CB-CD2 4.04Å; L315-L319 HydrophobicContact CD1-CD1 3.91Å; L315-L319 HydrophobicContact CD1-CG 3.96Å; L315-L319 HydrophobicContact CG-CD1 3.81Å; L315-L319 HydrophobicContact CG-CG 4.31Å; L315-L319 WeakPolarHBondContact O-CB 3.38Å; L315-L319 VanDerWaalsContact O-CG 3.28Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 3.35Å; S316-L319 PolarHBondContact O-N 2.71Å; E317-L319 PolarHBondContact O-N 3.22Å; L319-H323 PolarHBondContact O-N 2.92Å; L319-I324 HydrophobicContact CD2-CB 3.91Å; L319-I324 HydrophobicContact CD2-CG2 3.78Å; L319-I324 PolarHBondContact O-N 3.32Å
320	L	86.2	Confident	93.3	Very high	88 Å²	88	32 Å²	32	46%	0.461	18%	0.175	S	C	.	.	H	α-helix	trans	-67.9	-47.1	178.3	-73.4	171.9	0	0	0	112.4	S316 E317 N322 H323 P346	S316-L320 WeakPolarHBondContact O-CB 3.43Å; S316-L320 VanDerWaalsContact O-CG 3.28Å; S316-L320 WeakPolarHBondContact O-CG 3.4Å; S316-L320 PolarHBondContact O-N 2.84Å; E317-L320 PolarHBondContact O-N 3.36Å; L320-N322 VanDerWaalsContact C-N 3.26Å; L320-N322 PolarHBondContact O-N 3.38Å; L320-H323 PolarHBondContact O-N 3.15Å; L320-H323 PolarHBondContact O-ND1 2.87Å; L320-P346 HydrophobicContact CD1-CB 4.5Å; L320-P346 HydrophobicContact CD1-CG 4.24Å; L320-P346 HydrophobicContact CD2-CB 4.26Å
321	E	86.6	Confident	92.7	Very high	114 Å²	114	34.5 Å²	34.5	53%	0.533	19%	0.186	S	C	.	.	H	α-helix	trans	-57.7	-40.1	177.8	-175.9	-176	168.3	0	0	111.3	E317 K318	E317-E321 VanDerWaalsContact O-CB 3.26Å; E317-E321 WeakPolarHBondContact O-CB 3.35Å; E317-E321 PolarHBondContact O-N 2.02Å; K318-E321 WeakPolarHBondContact CD-OE2 3.48Å; K318-E321 WeakPolarHBondContact CE-OE2 3.45Å; K318-E321 IonicContact NZ-OE1 3.67Å; K318-E321 IonicContact NZ-OE2 3.88Å; K318-E321 PolarHBondContact NZ-OE2 2.93Å
322	N	89.3	Confident	92	Very high	25 Å²	25	38.1 Å²	38.1	13%	0.134	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	5.7	179.3	-66.2	-72.2	0	0	0	113.6	A251 Q254 R265 K318 L320 I324	A251-N322 PolarHBondContact O-ND2 2.75Å; Q254-N322 PolarHBondContact NE2-OD1 3.14Å; R265-N322 WeakPolarHBondContact CD-O 3.38Å; R265-N322 PolarHBondContact NH1-O 3.15Å; K318-N322 VanDerWaalsContact O-CB 3.32Å; K318-N322 WeakPolarHBondContact O-CB 3.41Å; K318-N322 PolarHBondContact O-N 2.78Å; K318-N322 VanDerWaalsContact O-N 3.13Å; K318-N322 PolarHBondContact O-ND2 3.44Å; L320-N322 VanDerWaalsContact C-N 3.26Å; L320-N322 PolarHBondContact O-N 3.38Å; N322-I324 VanDerWaalsContact C-N 3.29Å; N322-I324 HydrophobicContact CB-CD1 3.95Å; N322-I324 HydrophobicContact CB-CG1 4.15Å; N322-I324 PolarHBondContact O-N 3.11Å
323	H	86.2	Confident	91.4	Very high	60 Å²	60	43.9 Å²	43.9	28%	0.278	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	41.8	179.7	-55.3	-43.6	0	0	0	114.2	L319 L320 V445	L319-H323 PolarHBondContact O-N 2.92Å; L320-H323 PolarHBondContact O-N 3.15Å; L320-H323 PolarHBondContact O-ND1 2.87Å; H323-V445 HydrophobicContact CB-CG1 3.54Å
324	I	91.4	Very high	91.1	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.7	-179.9	-63.8	171.9	0	0	0	109.4	A251 W259 R265 L267 L319 N322	A251-I324 HydrophobicContact CB-CD1 3.8Å; W259-I324 HydrophobicContact CZ2-CD1 4.21Å; R265-I324 HydrophobicContact CB-CG1 3.99Å; L267-I324 HydrophobicContact CB-CG2 3.54Å; L267-I324 HydrophobicContact CD1-CG2 4.16Å; L319-I324 HydrophobicContact CD2-CB 3.91Å; L319-I324 HydrophobicContact CD2-CG2 3.78Å; L319-I324 PolarHBondContact O-N 3.32Å; N322-I324 VanDerWaalsContact C-N 3.29Å; N322-I324 HydrophobicContact CB-CD1 3.95Å; N322-I324 HydrophobicContact CB-CG1 4.15Å; N322-I324 PolarHBondContact O-N 3.11Å
325	Y	91.9	Very high	90.6	Very high	48 Å²	48	44.6 Å²	44.6	19%	0.188	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.6	176.4	-70.8	-104.9	0	0	0	109.1	R265 L266 L267 G347 L372	R265-Y325 PolarHBondContact O-N 3.09Å; L266-Y325 WeakPolarHBondContact CA-O 3.49Å; L267-Y325 PolarHBondContact N-O 3.06Å; Y325-G347 WeakPolarHBondContact CD1-O 3.44Å; Y325-L372 HydrophobicContact CD1-CD1 3.75Å; Y325-L372 HydrophobicContact CD2-CD1 3.33Å; Y325-L372 HydrophobicContact CD2-CD2 4.18Å; Y325-L372 HydrophobicContact CD2-CG 4.41Å; Y325-L372 HydrophobicContact CE1-CD1 3.68Å; Y325-L372 HydrophobicContact CE2-CD1 3.26Å; Y325-L372 HydrophobicContact CG-CD1 3.58Å; Y325-L372 HydrophobicContact CG-CD2 4.3Å; Y325-L372 VanDerWaalsContact CZ-CD1 3.43Å
326	S	94.9	Very high	90.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	136.6	-177.8	27.5	0	0	0	0	112.7	L267 S348 I349	L267-S326 CarbonylContact O-C 3.47Å; L267-S326 VanDerWaalsContact O-CA 3.32Å; L267-S326 WeakPolarHBondContact O-CA 3.32Å; S326-S348 CarbonylContact O-C 3.33Å; S326-S348 VanDerWaalsContact O-CA 3.24Å; S326-S348 WeakPolarHBondContact O-CA 3.14Å; S326-S348 PolarHBondContact OG-OG 3.45Å; S326-I349 PolarHBondContact O-N 2.86Å
327	I	96.2	Very high	90.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.8	170.6	-54	169.8	0	0	0	107.1	L266 L267 L268 L269 I349 L364 V365 A368	L266-I327 HydrophobicContact CD1-CD1 4.48Å; L266-I327 HydrophobicContact CD2-CD1 4.13Å; L266-I327 HydrophobicContact CD2-CG1 4.46Å; L267-I327 PolarHBondContact O-N 2.99Å; L268-I327 CarbonylContact C-O 3.44Å; L268-I327 HydrophobicContact CD1-CB 3.85Å; L268-I327 HydrophobicContact CD1-CG2 3.69Å; L269-I327 PolarHBondContact N-O 3.06Å; I327-I349 CarbonylContact C-O 3.57Å; I327-I349 WeakPolarHBondContact CA-O 3.45Å; I327-L364 HydrophobicContact CG2-CD1 4.43Å; I327-L364 HydrophobicContact CG2-CD2 3.8Å; I327-L364 HydrophobicContact CG2-CG 3.9Å; I327-V365 HydrophobicContact CD1-CB 4.44Å; I327-V365 HydrophobicContact CD1-CG1 4.27Å; I327-V365 HydrophobicContact CD1-CG2 4.18Å; I327-A368 HydrophobicContact CD1-CB 3.44Å; I327-A368 VanDerWaalsContact CD1-CB 3.44Å; I327-A368 HydrophobicContact CG1-CB 3.78Å
328	F	95.3	Very high	90.5	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	103.1	175	-70.2	-96.2	0	0	0	108.6	M247 L269 V330 Y338 L341 V342 L345 I349 L350 G351	M247-F328 HydrophobicContact CE-CE1 4.12Å; M247-F328 HydrophobicContact CE-CE2 4.15Å; M247-F328 HydrophobicContact CE-CZ 3.52Å; M247-F328 HydrophobicContact SD-CE1 3.79Å; M247-F328 HydrophobicContact SD-CZ 3.8Å; L269-F328 HydrophobicContact CB-CD1 4.4Å; L269-F328 HydrophobicContact CD2-CD1 3.54Å; L269-F328 HydrophobicContact CD2-CE1 3.56Å; F328-V330 HydrophobicContact CB-CG1 4.19Å; F328-Y338 AromaticContact CD1-CD1 3.44Å; F328-Y338 HydrophobicContact CD1-CD1 3.44Å; F328-Y338 VanDerWaalsContact CD1-CD1 3.44Å; F328-Y338 AromaticContact CD1-CE1 3.64Å; F328-Y338 HydrophobicContact CD1-CE1 3.64Å; F328-Y338 HydrophobicContact CD1-CG 4.47Å; F328-Y338 AromaticContact CE1-CD1 3.89Å; F328-Y338 HydrophobicContact CE1-CD1 3.89Å; F328-Y338 AromaticContact CE1-CE1 3.9Å; F328-Y338 HydrophobicContact CE1-CE1 3.9Å; F328-Y338 HydrophobicContact CG-CD1 4.29Å; F328-L341 HydrophobicContact CE1-CD2 4.28Å; F328-L341 HydrophobicContact CZ-CD2 4.14Å; F328-V342 HydrophobicContact CB-CG2 4.41Å; F328-V342 HydrophobicContact CD2-CG2 3.48Å; F328-V342 VanDerWaalsContact CD2-CG2 3.48Å; F328-V342 HydrophobicContact CE2-CG2 3.79Å; F328-V342 HydrophobicContact CG-CG2 3.91Å; F328-V342 HydrophobicContact CZ-CG2 4.46Å; F328-L345 HydrophobicContact CE2-CD1 4.01Å; F328-L345 HydrophobicContact CZ-CD1 3.63Å; F328-I349 PolarHBondContact N-O 2.85Å; F328-L350 HydrophobicContact CB-CD1 3.6Å; F328-G351 PolarHBondContact O-N 3.01Å
329	A	93.6	Very high	90.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	91.8	176.2	0	0	0	0	0	108.6	L268 L269 M270 T271 L353 F356 L361 L364	L268-A329 HydrophobicContact CD1-CB 3.67Å; L269-A329 WeakPolarHBondContact O-CB 3.48Å; L269-A329 PolarHBondContact O-N 3.27Å; M270-A329 WeakPolarHBondContact CA-O 3.12Å; M270-A329 HydrophobicContact CG-CB 4.18Å; T271-A329 PolarHBondContact N-O 3.23Å; A329-L353 HydrophobicContact CB-CD1 3.53Å; A329-F356 HydrophobicContact CB-CE1 4.23Å; A329-F356 WeakPolarHBondContact O-CE1 3.25Å; A329-L361 HydrophobicContact CB-CD1 3.97Å; A329-L364 HydrophobicContact CB-CD2 4.09Å
330	V	91.9	Very high	90.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.1	-167.2	-56.8	0	0	0	0	112.4	T271 F328 Y335 Y338 L350 G351 L353	T271-V330 HydrophobicContact CG2-CG1 4.24Å; T271-V330 WeakPolarHBondContact O-CA 3.4Å; F328-V330 HydrophobicContact CB-CG1 4.19Å; V330-Y335 HydrophobicContact CG2-CD2 4.3Å; V330-Y338 HydrophobicContact CB-CD2 3.97Å; V330-Y338 HydrophobicContact CB-CE2 4.3Å; V330-Y338 HydrophobicContact CG1-CD1 4.2Å; V330-Y338 HydrophobicContact CG1-CD2 3.56Å; V330-Y338 HydrophobicContact CG1-CE1 4.34Å; V330-Y338 HydrophobicContact CG1-CE2 3.73Å; V330-Y338 HydrophobicContact CG1-CG 3.82Å; V330-Y338 HydrophobicContact CG2-CD2 4.11Å; V330-Y338 HydrophobicContact CG2-CG 4.42Å; V330-L350 HydrophobicContact CG2-CD1 3.7Å; V330-G351 PolarHBondContact N-O 2.85Å; V330-G351 VanDerWaalsContact N-O 3.15Å; V330-L353 PolarHBondContact O-N 2.98Å
331	E	86.3	Confident	90.8	Very high	53 Å²	53	53.5 Å²	53.5	25%	0.248	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	147.6	176.8	-172	165.4	177.4	0	0	112.1	T271 D272 M333 Q334 Y335 L353	T271-E331 PolarHBondContact O-N 2.97Å; D272-E331 HydrophobicContact CB-CB 3.91Å; D272-E331 WeakPolarHBondContact CB-OE2 3.49Å; E331-M333 PolarHBondContact O-N 3.21Å; E331-Q334 PolarHBondContact O-N 3.24Å; E331-Y335 PolarHBondContact O-N 3.41Å; E331-L353 CarbonylContact C-O 3.58Å; E331-L353 WeakPolarHBondContact CA-O 3.2Å
332	K	82.2	Confident	91.1	Very high	132 Å²	132	49.1 Å²	49.1	57%	0.574	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-37.3	-174.9	173	164	-174.1	-170.6	0	114.6	K352 L353	K332-K352 VanDerWaalsContact CG-CE 3.5Å; K332-L353 PolarHBondContact N-O 3.21Å
333	M	84.2	Confident	91.1	Very high	155 Å²	155	54.3 Å²	54.3	76%	0.764	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-32.2	-178.2	-66.3	-57	-149.6	0	0	112.6	E331	E331-M333 PolarHBondContact O-N 3.21Å
334	Q	88.4	Confident	91.3	Very high	43 Å²	43	56.6 Å²	56.6	20%	0.201	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.5	-178.8	-51.8	-53.2	-15.8	0	0	113.9	D272 E331 Q336 W337 Y338	D272-Q334 WeakPolarHBondContact O-CG 3.28Å; E331-Q334 PolarHBondContact O-N 3.24Å; Q334-Q336 VanDerWaalsContact C-N 3.29Å; Q334-Q336 PolarHBondContact O-N 3.32Å; Q334-W337 WeakPolarHBondContact O-CB 3.36Å; Q334-W337 PolarHBondContact O-N 3.34Å; Q334-Y338 HydrophobicContact CB-CD2 4.26Å; Q334-Y338 HydrophobicContact CB-CE2 4.28Å; Q334-Y338 PolarHBondContact O-N 2.8Å
335	Y	88.3	Confident	91.2	Very high	51 Å²	51	56.4 Å²	56.4	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-52.1	-43.8	-175.2	-177.3	-87.8	0	0	0	113.5	V330 E331 W337 Y338 E339 L350 K352	V330-Y335 HydrophobicContact CG2-CD2 4.3Å; E331-Y335 PolarHBondContact O-N 3.41Å; Y335-W337 VanDerWaalsContact C-N 3.28Å; Y335-W337 PolarHBondContact O-N 3.26Å; Y335-Y338 PolarHBondContact O-N 3.36Å; Y335-E339 HydrophobicContact CD1-CB 4.46Å; Y335-E339 HydrophobicContact CE1-CB 4.19Å; Y335-E339 HydrophobicContact CE1-CG 4.42Å; Y335-E339 WeakPolarHBondContact O-CB 3.45Å; Y335-E339 PolarHBondContact O-N 2.99Å; Y335-L350 HydrophobicContact CD2-CD1 4.48Å; Y335-L350 HydrophobicContact CD2-CD2 3.96Å; Y335-L350 HydrophobicContact CD2-CG 4.03Å; Y335-L350 HydrophobicContact CE1-CD2 4.1Å; Y335-L350 HydrophobicContact CE2-CD1 4.42Å; Y335-L350 HydrophobicContact CE2-CD2 3.51Å; Y335-L350 HydrophobicContact CE2-CG 3.53Å; Y335-L350 HydrophobicContact CG-CD2 4.45Å; Y335-K352 HydrophobicContact CD1-CD 4.39Å; Y335-K352 HydrophobicContact CD2-CB 3.38Å; Y335-K352 HydrophobicContact CD2-CD 3.9Å; Y335-K352 HydrophobicContact CD2-CG 3.6Å; Y335-K352 HydrophobicContact CE2-CB 3.51Å; Y335-K352 HydrophobicContact CE2-CD 4.29Å; Y335-K352 HydrophobicContact CE2-CG 4.16Å; Y335-K352 HydrophobicContact CG-CB 4.25Å; Y335-K352 HydrophobicContact CG-CD 3.93Å; Y335-K352 HydrophobicContact CG-CG 3.99Å
336	Q	91.5	Very high	90.6	Very high	152 Å²	152	57 Å²	57	71%	0.71	27%	0.269	S	S	*	.	H	α-helix	trans	-63.1	-34.5	-178.4	-72.8	-177.8	-20.9	0	0	112.6	Q334 E339 E340	Q334-Q336 VanDerWaalsContact C-N 3.29Å; Q334-Q336 PolarHBondContact O-N 3.32Å; Q336-E339 PolarHBondContact O-N 3.33Å; Q336-E340 PolarHBondContact O-N 3.36Å
337	W	93.4	Very high	89.9	Confident	84 Å²	84	58.7 Å²	58.7	32%	0.318	29%	0.286	S	S	.	.	H	α-helix	trans	-67	-46.2	178.3	-172.7	90	0	0	0	110.9	P274 S275 L277 Q334 Y335 E339 E340 L341	P274-W337 HydrophobicContact CB-CD2 4.04Å; P274-W337 HydrophobicContact CB-CE3 4.29Å; P274-W337 HydrophobicContact CB-CG 4.47Å; P274-W337 HydrophobicContact CB-CZ2 4.31Å; S275-W337 VanDerWaalsContact N-CH2 3.34Å; S275-W337 WeakPolarHBondContact O-CH2 3.3Å; S275-W337 VanDerWaalsContact O-CZ2 3.24Å; S275-W337 WeakPolarHBondContact O-CZ2 3.39Å; L277-W337 HydrophobicContact CD2-CH2 4.3Å; L277-W337 HydrophobicContact CD2-CZ2 4.24Å; L277-W337 HydrophobicContact CG-CZ2 4.41Å; Q334-W337 WeakPolarHBondContact O-CB 3.36Å; Q334-W337 PolarHBondContact O-N 3.34Å; Y335-W337 VanDerWaalsContact C-N 3.28Å; Y335-W337 PolarHBondContact O-N 3.26Å; W337-E339 VanDerWaalsContact C-N 3.34Å; W337-E339 PolarHBondContact O-N 2.78Å; W337-E340 PolarHBondContact O-N 2.84Å; W337-L341 HydrophobicContact CE3-CD1 4.26Å; W337-L341 HydrophobicContact CH2-CD1 3.41Å; W337-L341 VanDerWaalsContact CH2-CD1 3.41Å; W337-L341 HydrophobicContact CZ2-CD1 4.24Å; W337-L341 HydrophobicContact CZ3-CD1 3.44Å; W337-L341 VanDerWaalsContact CZ3-CD1 3.44Å; W337-L341 PolarHBondContact O-N 2.76Å
338	Y	94.9	Very high	89.6	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-72.4	-24.9	177.3	-74.9	-83.4	0	0	0	113.4	L269 T271 Q273 F328 V330 Q334 Y335 E340 L341 V342	L269-Y338 HydrophobicContact CD2-CE1 4.23Å; T271-Y338 HydrophobicContact CG2-CE2 4.22Å; T271-Y338 VanDerWaalsContact CG2-OH 3.3Å; T271-Y338 WeakPolarHBondContact CG2-OH 3.41Å; Q273-Y338 WeakPolarHBondContact O-CE2 3.41Å; Q273-Y338 PolarHBondContact O-OH 3.1Å; F328-Y338 AromaticContact CD1-CD1 3.44Å; F328-Y338 HydrophobicContact CD1-CD1 3.44Å; F328-Y338 VanDerWaalsContact CD1-CD1 3.44Å; F328-Y338 AromaticContact CD1-CE1 3.64Å; F328-Y338 HydrophobicContact CD1-CE1 3.64Å; F328-Y338 HydrophobicContact CD1-CG 4.47Å; F328-Y338 AromaticContact CE1-CD1 3.89Å; F328-Y338 HydrophobicContact CE1-CD1 3.89Å; F328-Y338 AromaticContact CE1-CE1 3.9Å; F328-Y338 HydrophobicContact CE1-CE1 3.9Å; F328-Y338 HydrophobicContact CG-CD1 4.29Å; V330-Y338 HydrophobicContact CB-CD2 3.97Å; V330-Y338 HydrophobicContact CB-CE2 4.3Å; V330-Y338 HydrophobicContact CG1-CD1 4.2Å; V330-Y338 HydrophobicContact CG1-CD2 3.56Å; V330-Y338 HydrophobicContact CG1-CE1 4.34Å; V330-Y338 HydrophobicContact CG1-CE2 3.73Å; V330-Y338 HydrophobicContact CG1-CG 3.82Å; V330-Y338 HydrophobicContact CG2-CD2 4.11Å; V330-Y338 HydrophobicContact CG2-CG 4.42Å; Q334-Y338 HydrophobicContact CB-CD2 4.26Å; Q334-Y338 HydrophobicContact CB-CE2 4.28Å; Q334-Y338 PolarHBondContact O-N 2.8Å; Y335-Y338 PolarHBondContact O-N 3.36Å; Y338-E340 VanDerWaalsContact C-N 3.33Å; Y338-E340 PolarHBondContact O-N 2.93Å; Y338-L341 PolarHBondContact O-N 2.87Å; Y338-V342 VanDerWaalsContact O-CB 3.29Å; Y338-V342 WeakPolarHBondContact O-CB 3.35Å; Y338-V342 VanDerWaalsContact O-CG2 3.31Å; Y338-V342 WeakPolarHBondContact O-CG2 3.34Å; Y338-V342 PolarHBondContact O-N 3.37Å
339	E	94.3	Very high	89.4	Confident	80 Å²	80	60.8 Å²	60.8	37%	0.374	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-39.6	175.2	-177.8	168.8	-129.3	0	0	112	Y335 Q336 W337 K343 L350	Y335-E339 HydrophobicContact CD1-CB 4.46Å; Y335-E339 HydrophobicContact CE1-CB 4.19Å; Y335-E339 HydrophobicContact CE1-CG 4.42Å; Y335-E339 WeakPolarHBondContact O-CB 3.45Å; Y335-E339 PolarHBondContact O-N 2.99Å; Q336-E339 PolarHBondContact O-N 3.33Å; W337-E339 VanDerWaalsContact C-N 3.34Å; W337-E339 PolarHBondContact O-N 2.78Å; E339-K343 WeakPolarHBondContact O-CE 3.46Å; E339-K343 WeakPolarHBondContact O-CG 3.43Å; E339-L350 VanDerWaalsContact CA-CD2 3.45Å; E339-L350 HydrophobicContact CB-CD2 3.81Å
340	E	93.7	Very high	89.4	Confident	108 Å²	108	62.3 Å²	62.3	51%	0.505	31%	0.306	S	S	.	.	H	α-helix	trans	-74.2	-40.6	174.1	-64	-53.7	139.1	0	0	112.1	Q336 W337 Y338 K343	Q336-E340 PolarHBondContact O-N 3.36Å; W337-E340 PolarHBondContact O-N 2.84Å; Y338-E340 VanDerWaalsContact C-N 3.33Å; Y338-E340 PolarHBondContact O-N 2.93Å; E340-K343 PolarHBondContact O-N 2.87Å; E340-K343 IonicContact OE1-NZ 2.67Å; E340-K343 PolarHBondContact OE1-NZ 3.4Å; E340-K343 IonicContact OE2-NZ 2.67Å; E340-K343 PolarHBondContact OE2-NZ 2.88Å
341	L	93.4	Very high	89.2	Confident	10 Å²	10	62.6 Å²	62.6	5%	0.052	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-45.4	-179.4	-174	154.4	0	0	0	112.2	L244 L312 F328 W337 Y338 K343 L344 L345	L244-L341 HydrophobicContact CD1-CD1 4.48Å; L312-L341 HydrophobicContact CD1-CG 4.17Å; L312-L341 HydrophobicContact CD2-CD1 3.87Å; L312-L341 HydrophobicContact CD2-CD2 4.2Å; L312-L341 HydrophobicContact CD2-CG 3.85Å; F328-L341 HydrophobicContact CE1-CD2 4.28Å; F328-L341 HydrophobicContact CZ-CD2 4.14Å; W337-L341 HydrophobicContact CE3-CD1 4.26Å; W337-L341 HydrophobicContact CH2-CD1 3.41Å; W337-L341 VanDerWaalsContact CH2-CD1 3.41Å; W337-L341 HydrophobicContact CZ2-CD1 4.24Å; W337-L341 HydrophobicContact CZ3-CD1 3.44Å; W337-L341 VanDerWaalsContact CZ3-CD1 3.44Å; W337-L341 PolarHBondContact O-N 2.76Å; Y338-L341 PolarHBondContact O-N 2.87Å; L341-K343 PolarHBondContact O-N 3.44Å; L341-L344 WeakPolarHBondContact O-CB 3.46Å; L341-L344 PolarHBondContact O-N 3.35Å; L341-L345 HydrophobicContact CD2-CD1 3.44Å; L341-L345 VanDerWaalsContact CD2-CD1 3.44Å; L341-L345 HydrophobicContact CD2-CG 4.08Å
342	V	91.9	Very high	89.2	Confident	21 Å²	21	65.3 Å²	65.3	13%	0.127	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-25.2	-176.7	160.9	0	0	0	0	112.6	F328 Y338 L344 L345 L350	F328-V342 HydrophobicContact CB-CG2 4.41Å; F328-V342 HydrophobicContact CD2-CG2 3.48Å; F328-V342 VanDerWaalsContact CD2-CG2 3.48Å; F328-V342 HydrophobicContact CE2-CG2 3.79Å; F328-V342 HydrophobicContact CG-CG2 3.91Å; F328-V342 HydrophobicContact CZ-CG2 4.46Å; Y338-V342 VanDerWaalsContact O-CB 3.29Å; Y338-V342 WeakPolarHBondContact O-CB 3.35Å; Y338-V342 VanDerWaalsContact O-CG2 3.31Å; Y338-V342 WeakPolarHBondContact O-CG2 3.34Å; Y338-V342 PolarHBondContact O-N 3.37Å; V342-L344 PolarHBondContact O-N 3.36Å; V342-L345 PolarHBondContact O-N 2.91Å; V342-L345 VanDerWaalsContact O-N 3.1Å; V342-L350 HydrophobicContact CG1-CB 4.41Å; V342-L350 HydrophobicContact CG2-CB 4.35Å
343	K	90	Very high	89	Confident	134 Å²	134	59.2 Å²	59.2	58%	0.583	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-26	172.9	-65.3	170	-165.3	172.1	0	112.5	E339 E340 L341	E339-K343 WeakPolarHBondContact O-CE 3.46Å; E339-K343 WeakPolarHBondContact O-CG 3.43Å; E340-K343 PolarHBondContact O-N 2.87Å; E340-K343 IonicContact OE1-NZ 2.67Å; E340-K343 PolarHBondContact OE1-NZ 3.4Å; E340-K343 IonicContact OE2-NZ 2.67Å; E340-K343 PolarHBondContact OE2-NZ 2.88Å; L341-K343 PolarHBondContact O-N 3.44Å
344	L	90.1	Very high	88.3	Confident	108 Å²	108	53.2 Å²	53.2	57%	0.565	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.7	179.7	-55.1	176	0	0	0	112.9	L312 L341 V342 P346	L312-L344 HydrophobicContact CD1-CD1 3.73Å; L341-L344 WeakPolarHBondContact O-CB 3.46Å; L341-L344 PolarHBondContact O-N 3.35Å; V342-L344 PolarHBondContact O-N 3.36Å; L344-P346 WeakPolarHBondContact O-CD 3.15Å
345	L	88.6	Confident	87	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	28%	0.28	C	S	.	.	S	Bend	trans	-116.5	93.7	179.8	-62.1	-176.6	0	0	0	110	L315 F328 L341 V342 S348	L315-L345 HydrophobicContact CD2-CD1 4.21Å; L315-L345 HydrophobicContact CD2-CD2 4.44Å; L315-L345 HydrophobicContact CG-CD2 4.41Å; F328-L345 HydrophobicContact CE2-CD1 4.01Å; F328-L345 HydrophobicContact CZ-CD1 3.63Å; L341-L345 HydrophobicContact CD2-CD1 3.44Å; L341-L345 VanDerWaalsContact CD2-CD1 3.44Å; L341-L345 HydrophobicContact CD2-CG 4.08Å; V342-L345 PolarHBondContact O-N 2.91Å; V342-L345 VanDerWaalsContact O-N 3.1Å; L345-S348 VanDerWaalsContact CB-OG 3.26Å; L345-S348 WeakPolarHBondContact CB-OG 3.41Å; L345-S348 WeakPolarHBondContact O-CB 3.37Å; L345-S348 PolarHBondContact O-N 2.82Å; L345-S348 VanDerWaalsContact O-N 3.16Å; L345-S348 PolarHBondContact O-OG 2.71Å; L345-S348 VanDerWaalsContact O-OG 3.09Å
346	P	80.4	Confident	85.8	Confident	61 Å²	61	52.2 Å²	52.2	40%	0.396	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	143	-179.8	-22.4	34.1	0	0	0	112	S316 L320 L344 S348	S316-P346 WeakPolarHBondContact OG-CD 3.27Å; L320-P346 HydrophobicContact CD1-CB 4.5Å; L320-P346 HydrophobicContact CD1-CG 4.24Å; L320-P346 HydrophobicContact CD2-CB 4.26Å; L344-P346 WeakPolarHBondContact O-CD 3.15Å; P346-S348 PolarHBondContact O-N 2.94Å
347	G	80	Confident	84.4	Confident	36 Å²	36	50.2 Å²	50.2	37%	0.371	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	-1.5	-178.2	0	0	0	0	0	114.7	Y325	Y325-G347 WeakPolarHBondContact CD1-O 3.44Å
348	S	89.6	Confident	82.8	Confident	13 Å²	13	48 Å²	48	9%	0.091	26%	0.261	C	S	.	.			trans	-78.9	146.4	176.4	-63.8	0	0	0	0	112.8	S326 L345 P346	S326-S348 CarbonylContact O-C 3.33Å; S326-S348 VanDerWaalsContact O-CA 3.24Å; S326-S348 WeakPolarHBondContact O-CA 3.14Å; S326-S348 PolarHBondContact OG-OG 3.45Å; L345-S348 VanDerWaalsContact CB-OG 3.26Å; L345-S348 WeakPolarHBondContact CB-OG 3.41Å; L345-S348 WeakPolarHBondContact O-CB 3.37Å; L345-S348 PolarHBondContact O-N 2.82Å; L345-S348 VanDerWaalsContact O-N 3.16Å; L345-S348 PolarHBondContact O-OG 2.71Å; L345-S348 VanDerWaalsContact O-OG 3.09Å; P346-S348 PolarHBondContact O-N 2.94Å
349	I	91.8	Very high	81.5	Confident	31 Å²	31	51.6 Å²	51.6	16%	0.159	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.2	179.4	-60.5	175.8	0	0	0	108.1	S326 I327 F328 L364 A368 K371	S326-I349 PolarHBondContact O-N 2.86Å; I327-I349 CarbonylContact C-O 3.57Å; I327-I349 WeakPolarHBondContact CA-O 3.45Å; F328-I349 PolarHBondContact N-O 2.85Å; I349-L364 HydrophobicContact CG2-CD1 4.19Å; I349-A368 VanDerWaalsContact CD1-CA 3.46Å; I349-A368 HydrophobicContact CD1-CB 3.46Å; I349-A368 VanDerWaalsContact CD1-CB 3.46Å; I349-A368 HydrophobicContact CG2-CB 4.4Å; I349-K371 HydrophobicContact CD1-CB 4.46Å; I349-K371 HydrophobicContact CD1-CD 4Å
350	L	92.4	Very high	80.9	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.168	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.8	179.8	-176.4	62.2	0	0	0	110.4	F328 V330 Y335 E339 V342	F328-L350 HydrophobicContact CB-CD1 3.6Å; V330-L350 HydrophobicContact CG2-CD1 3.7Å; Y335-L350 HydrophobicContact CD2-CD1 4.48Å; Y335-L350 HydrophobicContact CD2-CD2 3.96Å; Y335-L350 HydrophobicContact CD2-CG 4.03Å; Y335-L350 HydrophobicContact CE1-CD2 4.1Å; Y335-L350 HydrophobicContact CE2-CD1 4.42Å; Y335-L350 HydrophobicContact CE2-CD2 3.51Å; Y335-L350 HydrophobicContact CE2-CG 3.53Å; Y335-L350 HydrophobicContact CG-CD2 4.45Å; E339-L350 VanDerWaalsContact CA-CD2 3.45Å; E339-L350 HydrophobicContact CB-CD2 3.81Å; V342-L350 HydrophobicContact CG1-CB 4.41Å; V342-L350 HydrophobicContact CG2-CB 4.35Å
351	G	89.3	Confident	80.5	Confident	6 Å²	6	46.2 Å²	46.2	6%	0.062	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.6	175	0	0	0	0	0	111.6	F328 V330 L364	F328-G351 PolarHBondContact O-N 3.01Å; V330-G351 PolarHBondContact N-O 2.85Å; V330-G351 VanDerWaalsContact N-O 3.15Å; G351-L364 VanDerWaalsContact CA-CD1 3.48Å
352	K	84.8	Confident	80.2	Confident	110 Å²	110	46.8 Å²	46.8	48%	0.478	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	108.9	174.5	-165.3	168.1	-175.2	162.6	0	110	K332 Y335	K332-K352 VanDerWaalsContact CG-CE 3.5Å; Y335-K352 HydrophobicContact CD1-CD 4.39Å; Y335-K352 HydrophobicContact CD2-CB 3.38Å; Y335-K352 HydrophobicContact CD2-CD 3.9Å; Y335-K352 HydrophobicContact CD2-CG 3.6Å; Y335-K352 HydrophobicContact CE2-CB 3.51Å; Y335-K352 HydrophobicContact CE2-CD 4.29Å; Y335-K352 HydrophobicContact CE2-CG 4.16Å; Y335-K352 HydrophobicContact CG-CB 4.25Å; Y335-K352 HydrophobicContact CG-CD 3.93Å; Y335-K352 HydrophobicContact CG-CG 3.99Å
353	L	77.6	Confident	80.1	Confident	4 Å²	4	49.7 Å²	49.7	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146.8	175.7	-59	177.4	0	0	0	109.7	A329 V330 E331 K332 F356 N360 L361	A329-L353 HydrophobicContact CB-CD1 3.53Å; V330-L353 PolarHBondContact O-N 2.98Å; E331-L353 CarbonylContact C-O 3.58Å; E331-L353 WeakPolarHBondContact CA-O 3.2Å; K332-L353 PolarHBondContact N-O 3.21Å; L353-F356 HydrophobicContact CD1-CD1 3.41Å; L353-F356 VanDerWaalsContact CD1-CD1 3.41Å; L353-F356 HydrophobicContact CD1-CE1 3.65Å; L353-F356 HydrophobicContact CD1-CG 4.34Å; L353-N360 HydrophobicContact CD2-CB 3.69Å; L353-L361 HydrophobicContact CD1-CB 4.32Å; L353-L361 HydrophobicContact CD1-CD1 3.84Å; L353-L361 HydrophobicContact CD2-CB 4.42Å
354	G	69.3	Low	80.1	Confident	29 Å²	29	44.6 Å²	44.6	30%	0.299	26%	0.258	S	S	.	.	S	Bend	trans	-77.5	-139.7	161.7	0	0	0	0	0	109.2	F356	G354-F356 PolarHBondContact O-N 2.82Å
355	L	62.5	Low	80.2	Confident	72 Å²	72	39.4 Å²	39.4	38%	0.377	23%	0.231	S	C	.	.	S	Bend	trans	-44.7	136	146.5	-69.9	168	0	0	0	106.8	E148 Q357	E148-L355 HydrophobicContact CB-CD2 4.41Å; L355-Q357 WeakPolarHBondContact O-CG 3.43Å; L355-Q357 PolarHBondContact O-N 3.36Å
356	F	61.8	Low	80.3	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	23%	0.232	C	C	.	.			trans	-62.7	71	-172.2	-72.3	-102.5	0	0	0	112.3	M146 N149 M270 A329 L353 G354	M146-F356 HydrophobicContact CE-CE2 3.83Å; M146-F356 HydrophobicContact CE-CZ 4Å; M146-F356 HydrophobicContact SD-CE2 4.01Å; M146-F356 HydrophobicContact SD-CZ 4.46Å; N149-F356 HydrophobicContact CB-CD2 3.43Å; N149-F356 VanDerWaalsContact CB-CD2 3.43Å; N149-F356 HydrophobicContact CB-CE2 3.7Å; N149-F356 HydrophobicContact CB-CG 4.45Å; N149-F356 VanDerWaalsContact CG-CE2 3.48Å; N149-F356 WeakPolarHBondContact ND2-CE2 3.45Å; N149-F356 WeakPolarHBondContact OD1-CD2 3.07Å; M270-F356 HydrophobicContact CB-CE1 3.87Å; M270-F356 HydrophobicContact CB-CZ 4.16Å; M270-F356 HydrophobicContact CE-CD1 3.21Å; M270-F356 HydrophobicContact CE-CE1 3.36Å; M270-F356 HydrophobicContact CE-CG 4.16Å; M270-F356 HydrophobicContact CE-CZ 4.38Å; M270-F356 HydrophobicContact CG-CE1 4.31Å; A329-F356 HydrophobicContact CB-CE1 4.23Å; A329-F356 WeakPolarHBondContact O-CE1 3.25Å; L353-F356 HydrophobicContact CD1-CD1 3.41Å; L353-F356 VanDerWaalsContact CD1-CD1 3.41Å; L353-F356 HydrophobicContact CD1-CE1 3.65Å; L353-F356 HydrophobicContact CD1-CG 4.34Å; G354-F356 PolarHBondContact O-N 2.82Å
357	Q	63.7	Low	80.8	Confident	111 Å²	111	40.8 Å²	40.8	52%	0.519	24%	0.235	S	C	.	.			trans	-71.3	133	-176	-76.8	176.5	-3.8	0	0	108.6	L355 N360 L361	L355-Q357 WeakPolarHBondContact O-CG 3.43Å; L355-Q357 PolarHBondContact O-N 3.36Å; Q357-N360 PolarHBondContact O-N 3.24Å; Q357-L361 PolarHBondContact O-N 3.38Å
358	A	59.6	Low	81.2	Confident	38 Å²	38	39.2 Å²	39.2	31%	0.314	22%	0.219	S	C	.	.	H	α-helix	trans	-50	-45.8	-171.3	0	0	0	0	0	115.8	V156 I362	V156-A358 HydrophobicContact CB-CB 4.37Å; V156-A358 HydrophobicContact CG1-CB 4.06Å; V156-A358 HydrophobicContact CG2-CB 3.57Å; A358-I362 WeakPolarHBondContact O-CB 3.28Å; A358-I362 WeakPolarHBondContact O-CD1 3.18Å; A358-I362 WeakPolarHBondContact O-CG1 3.4Å; A358-I362 PolarHBondContact O-N 3.2Å
359	P	67.3	Low	81.2	Confident	76 Å²	76	38.8 Å²	38.8	49%	0.494	22%	0.215	S	C	.	.	H	α-helix	trans	-66.3	-45.9	-174.5	-12.9	26.1	0	0	0	111.4	L361 I362 D363	P359-L361 PolarHBondContact O-N 2.79Å; P359-I362 PolarHBondContact O-N 3.24Å; P359-D363 PolarHBondContact O-N 3.44Å
360	N	81.6	Confident	81	Confident	75 Å²	75	42.2 Å²	42.2	40%	0.401	23%	0.229	S	C	.	.	H	α-helix	trans	-66.2	-40.6	-173.4	-60.3	-20.2	0	0	0	112	L353 Q357 L364	L353-N360 HydrophobicContact CD2-CB 3.69Å; Q357-N360 PolarHBondContact O-N 3.24Å; N360-L364 VanDerWaalsContact O-CB 3.23Å; N360-L364 WeakPolarHBondContact O-CB 3.04Å; N360-L364 PolarHBondContact O-N 3.3Å
361	L	85.5	Confident	80.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.8	-39.2	176.7	179.6	62.1	0	0	0	111.5	L153 V156 L160 L268 M270 A329 L353 Q357 P359 L364 V365	L153-L361 HydrophobicContact CD1-CD2 4.27Å; V156-L361 HydrophobicContact CG1-CB 4.35Å; V156-L361 HydrophobicContact CG1-CD2 3.84Å; L160-L361 HydrophobicContact CD2-CD2 4.45Å; L160-L361 HydrophobicContact CD2-CG 4.23Å; L268-L361 HydrophobicContact CD1-CD1 4.26Å; L268-L361 HydrophobicContact CD2-CD1 4.26Å; M270-L361 HydrophobicContact CE-CD1 4.28Å; M270-L361 HydrophobicContact CE-CD2 3.56Å; A329-L361 HydrophobicContact CB-CD1 3.97Å; L353-L361 HydrophobicContact CD1-CB 4.32Å; L353-L361 HydrophobicContact CD1-CD1 3.84Å; L353-L361 HydrophobicContact CD2-CB 4.42Å; Q357-L361 PolarHBondContact O-N 3.38Å; P359-L361 PolarHBondContact O-N 2.79Å; L361-L364 HydrophobicContact CD1-CD2 4.49Å; L361-V365 HydrophobicContact CD1-CG2 4.29Å; L361-V365 WeakPolarHBondContact O-CG2 3.5Å; L361-V365 PolarHBondContact O-N 3.25Å
362	I	87.5	Confident	80.5	Confident	22 Å²	22	46.2 Å²	46.2	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-51.1	178.6	-71.4	171.3	0	0	0	110.8	A159 L160 R163 A358 P359 L364 V365 V366	A159-I362 HydrophobicContact CB-CD1 4.08Å; L160-I362 HydrophobicContact CB-CG1 3.86Å; L160-I362 HydrophobicContact CD1-CG1 4.3Å; R163-I362 HydrophobicContact CB-CG2 4.02Å; R163-I362 HydrophobicContact CG-CG2 3.62Å; A358-I362 WeakPolarHBondContact O-CB 3.28Å; A358-I362 WeakPolarHBondContact O-CD1 3.18Å; A358-I362 WeakPolarHBondContact O-CG1 3.4Å; A358-I362 PolarHBondContact O-N 3.2Å; P359-I362 PolarHBondContact O-N 3.24Å; I362-L364 VanDerWaalsContact C-N 3.33Å; I362-L364 PolarHBondContact O-N 3.46Å; I362-V365 PolarHBondContact O-N 2.9Å; I362-V366 HydrophobicContact CG2-CG2 4.34Å; I362-V366 WeakPolarHBondContact O-CB 3.36Å; I362-V366 VanDerWaalsContact O-CG2 3.31Å; I362-V366 WeakPolarHBondContact O-CG2 3.43Å; I362-V366 PolarHBondContact O-N 2.85Å
363	D	89.1	Confident	80.5	Confident	83 Å²	83	41.9 Å²	41.9	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-40.1	-178.6	-67.7	-26.9	0	0	0	111.2	P359 V365 V366 D367	P359-D363 PolarHBondContact O-N 3.44Å; D363-V365 PolarHBondContact O-N 3.49Å; D363-V366 PolarHBondContact O-N 3.35Å; D363-D367 VanDerWaalsContact O-CB 3.3Å; D363-D367 WeakPolarHBondContact O-CB 3.27Å; D363-D367 PolarHBondContact O-N 2.94Å
364	L	91.1	Very high	80.9	Confident	26 Å²	26	42.7 Å²	42.7	14%	0.136	23%	0.231	C	C	.	.	H	α-helix	trans	-55	-49.8	174.6	176.8	67.4	0	0	0	112.2	I327 A329 I349 G351 N360 L361 I362 A368	I327-L364 HydrophobicContact CG2-CD1 4.43Å; I327-L364 HydrophobicContact CG2-CD2 3.8Å; I327-L364 HydrophobicContact CG2-CG 3.9Å; A329-L364 HydrophobicContact CB-CD2 4.09Å; I349-L364 HydrophobicContact CG2-CD1 4.19Å; G351-L364 VanDerWaalsContact CA-CD1 3.48Å; N360-L364 VanDerWaalsContact O-CB 3.23Å; N360-L364 WeakPolarHBondContact O-CB 3.04Å; N360-L364 PolarHBondContact O-N 3.3Å; L361-L364 HydrophobicContact CD1-CD2 4.49Å; I362-L364 VanDerWaalsContact C-N 3.33Å; I362-L364 PolarHBondContact O-N 3.46Å; L364-A368 WeakPolarHBondContact O-CB 3.4Å; L364-A368 PolarHBondContact O-N 3.17Å
365	V	92.1	Very high	81.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72	-38.2	-177.2	176.2	0	0	0	0	111.3	L136 L160 M164 L268 I327 L361 I362 D363 A368 Y369	L136-V365 HydrophobicContact CD1-CG1 4.34Å; L136-V365 HydrophobicContact CD2-CG1 4.04Å; L160-V365 HydrophobicContact CD1-CB 3.77Å; L160-V365 HydrophobicContact CD1-CG1 3.89Å; L160-V365 HydrophobicContact CD1-CG2 4.32Å; L160-V365 HydrophobicContact CD2-CB 4.22Å; L160-V365 HydrophobicContact CD2-CG1 4.41Å; L160-V365 HydrophobicContact CD2-CG2 3.84Å; M164-V365 HydrophobicContact SD-CG1 4.13Å; L268-V365 HydrophobicContact CD1-CG2 4.13Å; L268-V365 HydrophobicContact CD2-CG2 4.03Å; I327-V365 HydrophobicContact CD1-CB 4.44Å; I327-V365 HydrophobicContact CD1-CG1 4.27Å; I327-V365 HydrophobicContact CD1-CG2 4.18Å; L361-V365 HydrophobicContact CD1-CG2 4.29Å; L361-V365 WeakPolarHBondContact O-CG2 3.5Å; L361-V365 PolarHBondContact O-N 3.25Å; I362-V365 PolarHBondContact O-N 2.9Å; D363-V365 PolarHBondContact O-N 3.49Å; V365-A368 PolarHBondContact O-N 3.41Å; V365-Y369 WeakPolarHBondContact O-CB 3.31Å; V365-Y369 PolarHBondContact O-N 3.32Å
366	V	90.2	Very high	83	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-64.7	-43.2	176.2	168.2	0	0	0	0	111.1	R163 M164 I362 D363 Y369 K370	R163-V366 HydrophobicContact CG-CG2 4.17Å; M164-V366 HydrophobicContact SD-CG2 3.87Å; I362-V366 HydrophobicContact CG2-CG2 4.34Å; I362-V366 WeakPolarHBondContact O-CB 3.36Å; I362-V366 VanDerWaalsContact O-CG2 3.31Å; I362-V366 WeakPolarHBondContact O-CG2 3.43Å; I362-V366 PolarHBondContact O-N 2.85Å; D363-V366 PolarHBondContact O-N 3.35Å; V366-Y369 WeakPolarHBondContact O-CB 3.41Å; V366-Y369 PolarHBondContact O-N 2.73Å; V366-K370 HydrophobicContact CG1-CD 4.42Å; V366-K370 WeakPolarHBondContact O-CG 3.24Å; V366-K370 PolarHBondContact O-N 2.72Å
367	D	89.5	Confident	84.3	Confident	88 Å²	88	40.2 Å²	40.2	47%	0.471	21%	0.213	S	C	.	.	H	α-helix	trans	-72.6	-34.6	179.2	-71.7	-15.8	0	0	0	111.8	D363 Y369 K370 K371	D363-D367 VanDerWaalsContact O-CB 3.3Å; D363-D367 WeakPolarHBondContact O-CB 3.27Å; D363-D367 PolarHBondContact O-N 2.94Å; D367-Y369 VanDerWaalsContact C-N 3.34Å; D367-K370 PolarHBondContact O-N 3.09Å; D367-K370 IonicContact OD1-NZ 2.94Å; D367-K370 PolarHBondContact OD1-NZ 3.4Å; D367-K371 WeakPolarHBondContact O-CB 3.21Å; D367-K371 PolarHBondContact O-N 3.17Å
368	A	90.3	Very high	85.4	Confident	2 Å²	2	35.2 Å²	35.2	2%	0.017	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-45.3	168.5	0	0	0	0	0	112.1	I327 I349 L364 V365 K371 L372	I327-A368 HydrophobicContact CD1-CB 3.44Å; I327-A368 VanDerWaalsContact CD1-CB 3.44Å; I327-A368 HydrophobicContact CG1-CB 3.78Å; I349-A368 VanDerWaalsContact CD1-CA 3.46Å; I349-A368 HydrophobicContact CD1-CB 3.46Å; I349-A368 VanDerWaalsContact CD1-CB 3.46Å; I349-A368 HydrophobicContact CG2-CB 4.4Å; L364-A368 WeakPolarHBondContact O-CB 3.4Å; L364-A368 PolarHBondContact O-N 3.17Å; V365-A368 PolarHBondContact O-N 3.41Å; A368-K371 PolarHBondContact O-N 2.89Å; A368-L372 WeakPolarHBondContact O-CB 3.42Å; A368-L372 PolarHBondContact O-N 3.29Å
369	Y	89.1	Confident	86.7	Confident	4 Å²	4	35 Å²	35	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-48.4	174.7	170.7	-112.6	0	0	0	111.9	V134 M164 H167 L266 V365 V366 D367 K371 L372 L373	V134-Y369 HydrophobicContact CB-CE2 4.49Å; V134-Y369 HydrophobicContact CG1-CD2 4.48Å; V134-Y369 HydrophobicContact CG2-CD2 3.7Å; V134-Y369 HydrophobicContact CG2-CE2 3.12Å; M164-Y369 HydrophobicContact CE-CD1 4.15Å; M164-Y369 HydrophobicContact CE-CD2 4.28Å; M164-Y369 HydrophobicContact CE-CG 3.83Å; H167-Y369 HydrophobicContact CB-CD1 4.13Å; H167-Y369 HydrophobicContact CB-CE1 3.77Å; H167-Y369 PolarHBondContact O-OH 3.35Å; L266-Y369 HydrophobicContact CD1-CD2 4.48Å; V365-Y369 WeakPolarHBondContact O-CB 3.31Å; V365-Y369 PolarHBondContact O-N 3.32Å; V366-Y369 WeakPolarHBondContact O-CB 3.41Å; V366-Y369 PolarHBondContact O-N 2.73Å; D367-Y369 VanDerWaalsContact C-N 3.34Å; Y369-K371 VanDerWaalsContact C-N 3.32Å; Y369-K371 PolarHBondContact O-N 3.09Å; Y369-L372 WeakPolarHBondContact O-CB 3.39Å; Y369-L372 PolarHBondContact O-N 3.09Å; Y369-L372 VanDerWaalsContact O-N 3.16Å; Y369-L373 HydrophobicContact CD1-CD1 4.37Å; Y369-L373 HydrophobicContact CD1-CG 4.46Å; Y369-L373 HydrophobicContact CD2-CD2 4.17Å; Y369-L373 HydrophobicContact CD2-CG 4.24Å; Y369-L373 HydrophobicContact CE1-CD1 3.65Å; Y369-L373 HydrophobicContact CE1-CD2 4.47Å; Y369-L373 HydrophobicContact CE1-CG 4.05Å; Y369-L373 HydrophobicContact CE2-CD1 4.15Å; Y369-L373 HydrophobicContact CE2-CD2 3.42Å; Y369-L373 VanDerWaalsContact CE2-CD2 3.42Å; Y369-L373 HydrophobicContact CE2-CG 3.77Å; Y369-L373 WeakPolarHBondContact O-CG 3.42Å; Y369-L373 PolarHBondContact O-N 3.11Å
370	K	87.1	Confident	87.8	Confident	103 Å²	103	33.7 Å²	33.7	45%	0.448	18%	0.176	S	C	.	.	H	α-helix	trans	-60.5	-40.8	177.5	-69.9	170.9	-166.9	154.1	0	112.4	V366 D367 L372 L373 S374	V366-K370 HydrophobicContact CG1-CD 4.42Å; V366-K370 WeakPolarHBondContact O-CG 3.24Å; V366-K370 PolarHBondContact O-N 2.72Å; D367-K370 PolarHBondContact O-N 3.09Å; D367-K370 IonicContact OD1-NZ 2.94Å; D367-K370 PolarHBondContact OD1-NZ 3.4Å; K370-L372 VanDerWaalsContact C-N 3.34Å; K370-L373 WeakPolarHBondContact O-CB 3.34Å; K370-L373 PolarHBondContact O-N 3.16Å; K370-S374 PolarHBondContact O-N 2.91Å
371	K	85.9	Confident	88.2	Confident	119 Å²	119	33 Å²	33	52%	0.517	18%	0.177	S	C	.	.	H	α-helix	trans	-62.1	-44.5	175.5	-173.8	176.4	178.4	-175.3	0	110.6	I349 D367 A368 Y369 L373 S374 E375	I349-K371 HydrophobicContact CD1-CB 4.46Å; I349-K371 HydrophobicContact CD1-CD 4Å; D367-K371 WeakPolarHBondContact O-CB 3.21Å; D367-K371 PolarHBondContact O-N 3.17Å; A368-K371 PolarHBondContact O-N 2.89Å; Y369-K371 VanDerWaalsContact C-N 3.32Å; Y369-K371 PolarHBondContact O-N 3.09Å; K371-L373 VanDerWaalsContact C-N 3.31Å; K371-L373 PolarHBondContact O-N 3.17Å; K371-S374 WeakPolarHBondContact O-CB 3.31Å; K371-S374 PolarHBondContact O-N 3.07Å; K371-S374 PolarHBondContact O-OG 3.39Å; K371-E375 PolarHBondContact O-N 2.89Å
372	L	85.5	Confident	88.4	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-60.7	-38	175	178	56	0	0	0	112.6	K264 L266 Y325 A368 Y369 K370 S374 E375	K264-L372 HydrophobicContact CB-CD2 3.83Å; K264-L372 HydrophobicContact CB-CG 4.37Å; K264-L372 HydrophobicContact CD-CD1 4.25Å; K264-L372 HydrophobicContact CD-CD2 4.41Å; K264-L372 HydrophobicContact CD-CG 4.15Å; K264-L372 HydrophobicContact CG-CD2 4.45Å; K264-L372 HydrophobicContact CG-CG 4.48Å; L266-L372 HydrophobicContact CD2-CD2 3.58Å; L266-L372 HydrophobicContact CG-CD2 3.95Å; Y325-L372 HydrophobicContact CD1-CD1 3.75Å; Y325-L372 HydrophobicContact CD2-CD1 3.33Å; Y325-L372 HydrophobicContact CD2-CD2 4.18Å; Y325-L372 HydrophobicContact CD2-CG 4.41Å; Y325-L372 HydrophobicContact CE1-CD1 3.68Å; Y325-L372 HydrophobicContact CE2-CD1 3.26Å; Y325-L372 HydrophobicContact CG-CD1 3.58Å; Y325-L372 HydrophobicContact CG-CD2 4.3Å; Y325-L372 VanDerWaalsContact CZ-CD1 3.43Å; A368-L372 WeakPolarHBondContact O-CB 3.42Å; A368-L372 PolarHBondContact O-N 3.29Å; Y369-L372 WeakPolarHBondContact O-CB 3.39Å; Y369-L372 PolarHBondContact O-N 3.09Å; Y369-L372 VanDerWaalsContact O-N 3.16Å; K370-L372 VanDerWaalsContact C-N 3.34Å; L372-S374 PolarHBondContact O-N 3.36Å; L372-E375 PolarHBondContact O-N 3.1Å; L372-E375 VanDerWaalsContact O-N 3.17Å
373	L	84.1	Confident	88.5	Confident	19 Å²	19	36.1 Å²	36.1	10%	0.099	19%	0.193	C	C	.	.	H	α-helix	trans	-64.1	-26.6	175	-67.6	-163.8	0	0	0	113.5	Q128 Y132 Y369 K370 K371 E375	Q128-L373 PolarHBondContact NE2-O 3.14Å; Y132-L373 HydrophobicContact CD2-CD2 3.27Å; Y132-L373 HydrophobicContact CD2-CG 4.41Å; Y132-L373 HydrophobicContact CE2-CD2 3.88Å; Y132-L373 HydrophobicContact CG-CD2 3.95Å; Y369-L373 HydrophobicContact CD1-CD1 4.37Å; Y369-L373 HydrophobicContact CD1-CG 4.46Å; Y369-L373 HydrophobicContact CD2-CD2 4.17Å; Y369-L373 HydrophobicContact CD2-CG 4.24Å; Y369-L373 HydrophobicContact CE1-CD1 3.65Å; Y369-L373 HydrophobicContact CE1-CD2 4.47Å; Y369-L373 HydrophobicContact CE1-CG 4.05Å; Y369-L373 HydrophobicContact CE2-CD1 4.15Å; Y369-L373 HydrophobicContact CE2-CD2 3.42Å; Y369-L373 VanDerWaalsContact CE2-CD2 3.42Å; Y369-L373 HydrophobicContact CE2-CG 3.77Å; Y369-L373 WeakPolarHBondContact O-CG 3.42Å; Y369-L373 PolarHBondContact O-N 3.11Å; K370-L373 WeakPolarHBondContact O-CB 3.34Å; K370-L373 PolarHBondContact O-N 3.16Å; K371-L373 VanDerWaalsContact C-N 3.31Å; K371-L373 PolarHBondContact O-N 3.17Å; L373-E375 VanDerWaalsContact C-N 3.27Å
374	S	87.1	Confident	88.2	Confident	21 Å²	21	39.6 Å²	39.6	15%	0.147	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-8.8	178.5	81.2	0	0	0	0	113.5	K370 K371 L372 G411 V412	K370-S374 PolarHBondContact O-N 2.91Å; K371-S374 WeakPolarHBondContact O-CB 3.31Å; K371-S374 PolarHBondContact O-N 3.07Å; K371-S374 PolarHBondContact O-OG 3.39Å; L372-S374 PolarHBondContact O-N 3.36Å; S374-G411 PolarHBondContact O-N 3.04Å; S374-G411 VanDerWaalsContact O-N 3.13Å; S374-G411 PolarHBondContact OG-N 3.39Å; S374-V412 WeakPolarHBondContact CA-O 3.36Å; S374-V412 WeakPolarHBondContact O-CB 3.47Å; S374-V412 WeakPolarHBondContact O-CG2 3.34Å; S374-V412 PolarHBondContact O-N 3.12Å
375	E	87.1	Confident	87.8	Confident	33 Å²	33	43.9 Å²	43.9	15%	0.154	23%	0.229	C	C	.	.			trans	-95	119.2	177.2	-67.1	-70.5	164.4	0	0	110.4	K264 K371 L372 L373 C409 S410	K264-E375 PolarHBondContact NZ-O 3.14Å; K371-E375 PolarHBondContact O-N 2.89Å; L372-E375 PolarHBondContact O-N 3.1Å; L372-E375 VanDerWaalsContact O-N 3.17Å; L373-E375 VanDerWaalsContact C-N 3.27Å; E375-C409 WeakPolarHBondContact CA-O 3.42Å; E375-S410 VanDerWaalsContact CD-CB 3.47Å; E375-S410 WeakPolarHBondContact OE1-CB 3.41Å
376	V	88.8	Confident	87.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119.4	174.5	-175	0	0	0	0	108.3	V126 Q128 S408 C409 V412 V418 F420	V126-V376 HydrophobicContact CB-CG1 4.1Å; V126-V376 HydrophobicContact CG1-CG1 3.72Å; Q128-V376 HydrophobicContact CB-CG2 4.39Å; Q128-V376 HydrophobicContact CG-CG2 4.13Å; V376-S408 CarbonylContact O-C 3.5Å; V376-S408 VanDerWaalsContact O-CA 3.3Å; V376-S408 WeakPolarHBondContact O-CA 3.47Å; V376-S408 WeakPolarHBondContact O-CB 3.37Å; V376-C409 PolarHBondContact N-O 2.97Å; V376-C409 PolarHBondContact O-N 3.22Å; V376-V412 HydrophobicContact CB-CG2 4.45Å; V376-V412 HydrophobicContact CG2-CB 4.04Å; V376-V412 HydrophobicContact CG2-CG1 4.1Å; V376-V412 HydrophobicContact CG2-CG2 4Å; V376-V418 HydrophobicContact CB-CB 4.44Å; V376-V418 HydrophobicContact CB-CG2 3.9Å; V376-V418 HydrophobicContact CG1-CB 4.09Å; V376-V418 HydrophobicContact CG1-CG2 4.05Å; V376-V418 HydrophobicContact CG2-CG2 4.08Å; V376-F420 HydrophobicContact CG1-CE2 4.02Å; V376-F420 HydrophobicContact CG1-CZ 4.07Å
377	A	87.8	Confident	87.2	Confident	17 Å²	17	47.3 Å²	47.3	14%	0.14	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.2	-178.8	0	0	0	0	0	109.9	P444 V445	A377-P444 WeakPolarHBondContact O-CA 3.44Å; A377-V445 HydrophobicContact CB-CG2 4.18Å; A377-V445 PolarHBondContact O-N 2.79Å
378	V	88.4	Confident	87	Confident	6 Å²	6	47.7 Å²	47.7	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.5	173.7	-64.2	0	0	0	0	110.2	V126 V394 F420 V442 P444	V126-V378 HydrophobicContact CG2-CG1 4.26Å; V378-V394 HydrophobicContact CG2-CG1 3.65Å; V378-F420 HydrophobicContact CG1-CD1 4.15Å; V378-F420 HydrophobicContact CG1-CD2 3.55Å; V378-F420 HydrophobicContact CG1-CE1 4.16Å; V378-F420 HydrophobicContact CG1-CE2 3.58Å; V378-F420 HydrophobicContact CG1-CG 3.84Å; V378-F420 HydrophobicContact CG1-CZ 3.89Å; V378-F420 HydrophobicContact CG2-CB 4.39Å; V378-F420 HydrophobicContact CG2-CD1 3.62Å; V378-F420 HydrophobicContact CG2-CD2 4.46Å; V378-F420 HydrophobicContact CG2-CE1 3.94Å; V378-F420 HydrophobicContact CG2-CG 3.9Å; V378-F420 HydrophobicContact CG2-CZ 4.5Å; V378-V442 HydrophobicContact CB-CG1 4.11Å; V378-V442 HydrophobicContact CG1-CG1 4.21Å; V378-P444 HydrophobicContact CG1-CB 4.32Å; V378-P444 HydrophobicContact CG1-CG 4.17Å
379	S	86.7	Confident	87	Confident	33 Å²	33	49 Å²	49	23%	0.231	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	144.7	164.6	61.3	0	0	0	0	109.5	H443	S379-H443 PolarHBondContact N-O 2.97Å; S379-H443 PolarHBondContact O-N 3.22Å; S379-H443 PolarHBondContact OG-O 3Å
380	V	90.3	Very high	87	Confident	48 Å²	48	49.4 Å²	49.4	29%	0.291	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	130.4	179	178.3	0	0	0	0	108.3	V392 V394 M440 L441 V442	V380-V392 HydrophobicContact CG1-CB 4.42Å; V380-V392 HydrophobicContact CG1-CG1 4.11Å; V380-V392 HydrophobicContact CG1-CG2 4.2Å; V380-V392 HydrophobicContact CG2-CG1 4.34Å; V380-V394 HydrophobicContact CG2-CG2 3.78Å; V380-M440 HydrophobicContact CG1-CE 3.37Å; V380-M440 HydrophobicContact CG1-CG 4.05Å; V380-M440 HydrophobicContact CG1-SD 4.13Å; V380-M440 HydrophobicContact CG2-CE 4.44Å; V380-L441 WeakPolarHBondContact CA-O 3.4Å; V380-V442 HydrophobicContact CG2-CG2 4.29Å
381	S	88.7	Confident	87.2	Confident	60 Å²	60	48.2 Å²	48.2	42%	0.42	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	138.3	171.7	51.8	0	0	0	0	110.2	M440 L441	S381-M440 CarbonylContact O-C 3.49Å; S381-M440 VanDerWaalsContact O-CA 3.3Å; S381-M440 WeakPolarHBondContact O-CA 3.28Å; S381-M440 WeakPolarHBondContact O-CG 3.36Å; S381-L441 PolarHBondContact N-O 3.18Å; S381-L441 PolarHBondContact O-N 3.13Å
382	V	90.1	Very high	87.5	Confident	25 Å²	25	44.7 Å²	44.7	15%	0.152	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.3	174.9	-179	0	0	0	0	106.7	D384 A386 V387 Y390 V392 V438 M440	V382-D384 PolarHBondContact O-N 3.29Å; V382-A386 HydrophobicContact CG1-CB 4.32Å; V382-V387 HydrophobicContact CB-CG2 4.11Å; V382-V387 WeakPolarHBondContact O-CG2 3.5Å; V382-Y390 HydrophobicContact CG1-CD2 4.35Å; V382-V392 HydrophobicContact CG2-CG2 4.42Å; V382-V438 HydrophobicContact CG1-CG1 4.02Å; V382-M440 HydrophobicContact CG2-CB 4.21Å; V382-M440 HydrophobicContact CG2-CG 3.95Å; V382-M440 HydrophobicContact CG2-SD 4.21Å
383	E	88.8	Confident	87.9	Confident	64 Å²	64	46.9 Å²	46.9	30%	0.299	26%	0.263	S	S	.	.			trans	-50.5	131.4	175.1	-75.4	176.1	-164.3	0	0	112.1	K385 A386 V387 V438 R439	E383-K385 HydrophobicContact CB-CG 4.35Å; E383-K385 PolarHBondContact O-N 3.09Å; E383-K385 VanDerWaalsContact O-N 3.09Å; E383-K385 WeakPolarHBondContact OE2-CE 3.28Å; E383-K385 IonicContact OE2-NZ 2.62Å; E383-A386 WeakPolarHBondContact O-CA 3.46Å; E383-A386 WeakPolarHBondContact O-CB 3.21Å; E383-A386 PolarHBondContact O-N 2.96Å; E383-V387 PolarHBondContact O-N 3.42Å; E383-V438 HydrophobicContact CB-CG1 4.35Å; E383-R439 HydrophobicContact CG-CB 4.38Å; E383-R439 PolarHBondContact N-O 3.46Å; E383-R439 WeakPolarHBondContact OE1-CB 3.39Å; E383-R439 WeakPolarHBondContact OE1-CG 3.33Å; E383-R439 PolarHBondContact OE1-N 2.91Å
384	D	83.6	Confident	88.4	Confident	155 Å²	155	46.5 Å²	46.5	83%	0.829	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-40.4	-171.5	-67.2	-31.6	0	0	0	113.8	V382 A386	V382-D384 PolarHBondContact O-N 3.29Å; D384-A386 PolarHBondContact O-N 2.89Å
385	K	82.7	Confident	88.7	Confident	116 Å²	116	48.2 Å²	48.2	50%	0.504	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-17.4	178.7	60.1	168.5	175.8	160.5	0	113.4	E383 R389 E436	E383-K385 HydrophobicContact CB-CG 4.35Å; E383-K385 PolarHBondContact O-N 3.09Å; E383-K385 VanDerWaalsContact O-N 3.09Å; E383-K385 WeakPolarHBondContact OE2-CE 3.28Å; E383-K385 IonicContact OE2-NZ 2.62Å; K385-R389 VanDerWaalsContact O-CZ 3.3Å; K385-R389 PolarHBondContact O-NH1 2.91Å; K385-R389 PolarHBondContact O-NH2 2.93Å; K385-E436 VanDerWaalsContact CE-OE1 3.3Å; K385-E436 WeakPolarHBondContact CE-OE1 3.42Å; K385-E436 IonicContact NZ-OE1 2.84Å; K385-E436 PolarHBondContact NZ-OE1 3.23Å
386	A	83.8	Confident	89.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-13.6	-168	0	0	0	0	0	113.7	V382 E383 D384 S388 R389 Y390 V438	V382-A386 HydrophobicContact CG1-CB 4.32Å; E383-A386 WeakPolarHBondContact O-CA 3.46Å; E383-A386 WeakPolarHBondContact O-CB 3.21Å; E383-A386 PolarHBondContact O-N 2.96Å; D384-A386 PolarHBondContact O-N 2.89Å; A386-S388 PolarHBondContact O-N 2.9Å; A386-S388 VanDerWaalsContact O-N 3.09Å; A386-R389 WeakPolarHBondContact O-CB 3.3Å; A386-R389 PolarHBondContact O-N 3.13Å; A386-Y390 HydrophobicContact CB-CD2 4.2Å; A386-Y390 HydrophobicContact CB-CE2 3.86Å; A386-Y390 VanDerWaalsContact O-CD2 3.25Å; A386-Y390 WeakPolarHBondContact O-CD2 3.41Å; A386-V438 HydrophobicContact CB-CB 4.47Å; A386-V438 HydrophobicContact CB-CG1 3.66Å; A386-V438 HydrophobicContact CB-CG2 3.91Å
387	V	85.4	Confident	89.4	Confident	76 Å²	76	52.2 Å²	52.2	46%	0.461	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-49	-41.5	-175.9	175	0	0	0	0	113.2	V382 E383 R389	V382-V387 HydrophobicContact CB-CG2 4.11Å; V382-V387 WeakPolarHBondContact O-CG2 3.5Å; E383-V387 PolarHBondContact O-N 3.42Å; V387-R389 VanDerWaalsContact C-N 3.28Å; V387-R389 PolarHBondContact O-N 3.39Å
388	S	86.9	Confident	89.7	Confident	97 Å²	97	53 Å²	53	68%	0.678	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-70.2	-20.8	-179.4	58.5	0	0	0	0	114.3	A386	A386-S388 PolarHBondContact O-N 2.9Å; A386-S388 VanDerWaalsContact O-N 3.09Å
389	R	88.6	Confident	89.9	Confident	29 Å²	29	53.9 Å²	53.9	11%	0.109	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-88.5	-13.3	-177.7	-62.6	-165.5	-71.4	-76.8	3	113.3	K385 A386 V387 R427 C429 E436	K385-R389 VanDerWaalsContact O-CZ 3.3Å; K385-R389 PolarHBondContact O-NH1 2.91Å; K385-R389 PolarHBondContact O-NH2 2.93Å; A386-R389 WeakPolarHBondContact O-CB 3.3Å; A386-R389 PolarHBondContact O-N 3.13Å; V387-R389 VanDerWaalsContact C-N 3.28Å; V387-R389 PolarHBondContact O-N 3.39Å; R389-R427 WeakPolarHBondContact O-CB 3.48Å; R389-R427 PolarHBondContact O-N 2.84Å; R389-C429 WeakPolarHBondContact CD-O 3.18Å; R389-E436 IonicContact CZ-OE2 2.76Å; R389-E436 IonicContact NE-OE2 3.17Å; R389-E436 IonicContact NH2-OE1 3.76Å; R389-E436 IonicContact NH2-OE2 3.35Å; R389-E436 PolarHBondContact NH2-OE2 3.41Å
390	Y	89.9	Confident	90	Very high	12 Å²	12	63.9 Å²	63.9	5%	0.047	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	157.3	-179.9	-58.9	-88.6	0	0	0	111.4	L113 V382 A386 V424 G425 Q426 V438 I455 S457	L113-Y390 HydrophobicContact CD1-CD1 4.47Å; L113-Y390 HydrophobicContact CD1-CE1 4.42Å; V382-Y390 HydrophobicContact CG1-CD2 4.35Å; A386-Y390 HydrophobicContact CB-CD2 4.2Å; A386-Y390 HydrophobicContact CB-CE2 3.86Å; A386-Y390 VanDerWaalsContact O-CD2 3.25Å; A386-Y390 WeakPolarHBondContact O-CD2 3.41Å; Y390-V424 HydrophobicContact CD1-CG1 4.39Å; Y390-G425 WeakPolarHBondContact CA-O 3.46Å; Y390-Q426 HydrophobicContact CD1-CB 3.99Å; Y390-Q426 HydrophobicContact CD1-CG 4.16Å; Y390-Q426 HydrophobicContact CE1-CB 3.88Å; Y390-Q426 HydrophobicContact CE1-CG 3.77Å; Y390-V438 HydrophobicContact CE2-CB 4.38Å; Y390-V438 HydrophobicContact CE2-CG1 4.22Å; Y390-V438 HydrophobicContact CE2-CG2 4.09Å; Y390-V438 WeakPolarHBondContact OH-CG2 3.49Å; Y390-I455 HydrophobicContact CE1-CG2 3.77Å; Y390-S457 PolarHBondContact OH-OG 3.16Å
391	W	91	Very high	89.8	Confident	79 Å²	79	65.4 Å²	65.4	30%	0.299	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.1	163.9	66.3	-92.8	0	0	0	108.8	E119 T423 G425	E119-W391 HydrophobicContact CB-CZ2 4.3Å; E119-W391 WeakPolarHBondContact OE2-CH2 2.96Å; E119-W391 WeakPolarHBondContact OE2-CZ2 3.44Å; W391-T423 HydrophobicContact CH2-CG2 3.65Å; W391-T423 HydrophobicContact CZ3-CG2 4.11Å; W391-G425 PolarHBondContact N-O 2.91Å; W391-G425 PolarHBondContact O-N 3.01Å
392	V	93.3	Very high	89.9	Confident	45 Å²	45	63.5 Å²	63.5	27%	0.273	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.6	179.5	-174.9	0	0	0	0	109	V380 V382 V394 I422 T423 V424 M440	V380-V392 HydrophobicContact CG1-CB 4.42Å; V380-V392 HydrophobicContact CG1-CG1 4.11Å; V380-V392 HydrophobicContact CG1-CG2 4.2Å; V380-V392 HydrophobicContact CG2-CG1 4.34Å; V382-V392 HydrophobicContact CG2-CG2 4.42Å; V392-V394 HydrophobicContact CG1-CG2 4.27Å; V392-I422 HydrophobicContact CG1-CG2 3.85Å; V392-T423 CarbonylContact C-O 3.57Å; V392-T423 WeakPolarHBondContact CA-O 3.45Å; V392-V424 HydrophobicContact CG1-CG2 4.44Å; V392-V424 HydrophobicContact CG2-CG1 4.44Å; V392-V424 HydrophobicContact CG2-CG2 4.35Å; V392-M440 HydrophobicContact CG1-CE 3.89Å; V392-M440 HydrophobicContact CG2-CE 4.06Å; V392-M440 HydrophobicContact CG2-SD 4.03Å
393	S	93.4	Very high	89.8	Confident	49 Å²	49	66.6 Å²	66.6	34%	0.343	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	137	168	-179.5	0	0	0	0	109.7	I422 T423	S393-I422 WeakPolarHBondContact O-CA 3.17Å; S393-T423 PolarHBondContact N-O 3.13Å; S393-T423 PolarHBondContact O-N 3.1Å
394	V	94.3	Very high	89.7	Confident	12 Å²	12	66.4 Å²	66.4	7%	0.073	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.4	179.5	179.7	0	0	0	0	108.2	V378 V380 V392 Q407 F420	V378-V394 HydrophobicContact CG2-CG1 3.65Å; V380-V394 HydrophobicContact CG2-CG2 3.78Å; V392-V394 HydrophobicContact CG1-CG2 4.27Å; V394-Q407 HydrophobicContact CB-CB 4.47Å; V394-Q407 HydrophobicContact CB-CG 4.09Å; V394-Q407 HydrophobicContact CG1-CB 4.29Å; V394-Q407 HydrophobicContact CG1-CG 4.43Å; V394-F420 HydrophobicContact CG1-CB 4.5Å; V394-F420 HydrophobicContact CG1-CD1 3.97Å
395	S	93.9	Very high	89.4	Confident	56 Å²	56	65 Å²	65	39%	0.392	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	109.1	177.8	-67	0	0	0	0	110.1	N421	S395-N421 PolarHBondContact N-O 3.36Å; S395-N421 PolarHBondContact O-N 2.89Å
396	P	94.8	Very high	89.3	Confident	26 Å²	26	66.2 Å²	66.2	17%	0.169	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.5	178.7	30.2	-33.6	0	0	0	112	A404 D406 F420	P396-A404 HydrophobicContact CG-CB 4.25Å; P396-D406 WeakPolarHBondContact CD-O 3.34Å; P396-D406 WeakPolarHBondContact CG-O 3.43Å; P396-F420 HydrophobicContact CB-CD1 4Å; P396-F420 HydrophobicContact CB-CE1 3.87Å
397	I	94.8	Very high	89.3	Confident	92 Å²	92	70.8 Å²	70.8	47%	0.472	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	96.7	173.7	-54.2	170.5	0	0	0	106.9	Y419 N421	I397-Y419 WeakPolarHBondContact CA-O 3.18Å; I397-Y419 WeakPolarHBondContact CB-O 2.95Å; I397-Y419 PolarHBondContact N-O 2.88Å; I397-Y419 PolarHBondContact O-N 3.39Å; I397-N421 HydrophobicContact CD1-CB 4.43Å
398	C	94.1	Very high	89.4	Confident	32 Å²	32	68.1 Å²	68.1	22%	0.216	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-83.5	148	-173.5	-51	0	0	0	0	112.4	A404 C409	C398-A404 WeakPolarHBondContact SG-CA 3.41Å; C398-C409 WeakPolarHBondContact CA-SG 3.38Å; C398-C409 HydrophobicContact CB-CB 3.81Å; C398-C409 WeakPolarHBondContact CB-SG 3.32Å; C398-C409 VanDerWaalsContact SG-CA 3.54Å; C398-C409 WeakPolarHBondContact SG-CB 3.49Å; C398-C409 CovalentContact SG-SG 2.02Å; C398-C409 PolarHBondContact SG-SG 3.46Å
399	P	93.4	Very high	89.6	Confident	26 Å²	26	63.5 Å²	63.5	17%	0.169	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66.8	162.6	173.9	27.5	-32.8	0	0	0	111.5	G401 S402 V412 Q416	P399-G401 PolarHBondContact O-N 2.89Å; P399-S402 WeakPolarHBondContact O-CB 3.22Å; P399-S402 PolarHBondContact O-N 2.88Å; P399-S402 VanDerWaalsContact O-N 3.07Å; P399-V412 HydrophobicContact CG-CG1 4.21Å; P399-V412 HydrophobicContact CG-CG2 4.48Å; P399-Q416 HydrophobicContact CB-CB 4.42Å; P399-Q416 HydrophobicContact CG-CB 4.14Å
400	R	89.3	Confident	89.7	Confident	243 Å²	243	63.4 Å²	63.4	92%	0.917	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	133.5	179.2	-66.3	-172.6	-161.2	148.9	4.4	110.8	S402	R400-S402 VanDerWaalsContact C-N 3.32Å
401	G	85.6	Confident	89.7	Confident	80 Å²	80	64 Å²	64	83%	0.825	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-7.1	-177.3	0	0	0	0	0	114	P399	P399-G401 PolarHBondContact O-N 2.89Å
402	S	90	Very high	89.7	Confident	19 Å²	19	60.4 Å²	60.4	13%	0.133	35%	0.352	C	S	.	.			trans	-100.7	157	172.6	-55.6	0	0	0	0	111	P399 R400 S410 G411 V412	P399-S402 WeakPolarHBondContact O-CB 3.22Å; P399-S402 PolarHBondContact O-N 2.88Å; P399-S402 VanDerWaalsContact O-N 3.07Å; R400-S402 VanDerWaalsContact C-N 3.32Å; S402-S410 CarbonylContact C-O 3.51Å; S402-S410 WeakPolarHBondContact CA-O 3.41Å; S402-S410 WeakPolarHBondContact CB-O 3.16Å; S402-G411 PolarHBondContact OG-O 3.04Å; S402-G411 VanDerWaalsContact OG-O 3.08Å; S402-V412 WeakPolarHBondContact OG-CA 3.49Å; S402-V412 PolarHBondContact OG-N 2.99Å
403	T	88.2	Confident	89.5	Confident	91 Å²	91	63.4 Å²	63.4	56%	0.558	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.5	-178.8	-56.8	0	0	0	0	110.2	S410	T403-S410 PolarHBondContact N-O 3.37Å; T403-S410 PolarHBondContact O-N 3.19Å; T403-S410 PolarHBondContact O-OG 3.31Å
404	A	86.8	Confident	89.3	Confident	60 Å²	60	64.8 Å²	64.8	50%	0.496	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.6	171.8	0	0	0	0	0	109.5	P396 C398	P396-A404 HydrophobicContact CG-CB 4.25Å; C398-A404 WeakPolarHBondContact SG-CA 3.41Å
405	K	78.3	Confident	88.9	Confident	125 Å²	125	66.1 Å²	66.1	54%	0.543	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119.3	173.6	-173.3	-179.3	177.5	-175.2	0	108.1	Q407 S408	K405-Q407 PolarHBondContact O-N 2.63Å; K405-Q407 VanDerWaalsContact O-N 3.14Å; K405-S408 PolarHBondContact N-O 3.44Å; K405-S408 PolarHBondContact O-N 3.45Å; K405-S408 VanDerWaalsContact O-O 3.13Å; K405-S408 PolarHBondContact O-OG 2.97Å
406	D	80.1	Confident	88.9	Confident	141 Å²	141	66.1 Å²	66.1	75%	0.754	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	-118.1	-177.1	-52.1	-47.6	0	0	0	111.5	P396	P396-D406 WeakPolarHBondContact CD-O 3.34Å; P396-D406 WeakPolarHBondContact CG-O 3.43Å
407	Q	83.4	Confident	88.8	Confident	97 Å²	97	67 Å²	67	45%	0.453	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	24.3	178	-59	180	-11	0	0	112.6	V394 K405 F420	V394-Q407 HydrophobicContact CB-CB 4.47Å; V394-Q407 HydrophobicContact CB-CG 4.09Å; V394-Q407 HydrophobicContact CG1-CB 4.29Å; V394-Q407 HydrophobicContact CG1-CG 4.43Å; K405-Q407 PolarHBondContact O-N 2.63Å; K405-Q407 VanDerWaalsContact O-N 3.14Å; Q407-F420 WeakPolarHBondContact O-CE1 3.36Å
408	S	88	Confident	88.8	Confident	19 Å²	19	62.6 Å²	62.6	13%	0.133	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	164.5	-179.1	80.1	0	0	0	0	114	V376 K405	V376-S408 CarbonylContact O-C 3.5Å; V376-S408 VanDerWaalsContact O-CA 3.3Å; V376-S408 WeakPolarHBondContact O-CA 3.47Å; V376-S408 WeakPolarHBondContact O-CB 3.37Å; K405-S408 PolarHBondContact N-O 3.44Å; K405-S408 PolarHBondContact O-N 3.45Å; K405-S408 VanDerWaalsContact O-O 3.13Å; K405-S408 PolarHBondContact O-OG 2.97Å
409	C	91.3	Very high	88.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.9	168.4	-67.6	0	0	0	0	109.8	E375 V376 C398 V412 V418	E375-C409 WeakPolarHBondContact CA-O 3.42Å; V376-C409 PolarHBondContact N-O 2.97Å; V376-C409 PolarHBondContact O-N 3.22Å; C398-C409 WeakPolarHBondContact CA-SG 3.38Å; C398-C409 HydrophobicContact CB-CB 3.81Å; C398-C409 WeakPolarHBondContact CB-SG 3.32Å; C398-C409 VanDerWaalsContact SG-CA 3.54Å; C398-C409 WeakPolarHBondContact SG-CB 3.49Å; C398-C409 CovalentContact SG-SG 2.02Å; C398-C409 PolarHBondContact SG-SG 3.46Å; C409-V412 HydrophobicContact CB-CG2 3.69Å; C409-V418 HydrophobicContact CB-CG1 4.08Å; C409-V418 HydrophobicContact CB-CG2 4.08Å; C409-V418 WeakPolarHBondContact SG-CG1 3.26Å
410	S	90.1	Very high	89	Confident	27 Å²	27	65.1 Å²	65.1	19%	0.189	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	149.5	176.4	61.5	0	0	0	0	111.7	E375 S402 T403	E375-S410 VanDerWaalsContact CD-CB 3.47Å; E375-S410 WeakPolarHBondContact OE1-CB 3.41Å; S402-S410 CarbonylContact C-O 3.51Å; S402-S410 WeakPolarHBondContact CA-O 3.41Å; S402-S410 WeakPolarHBondContact CB-O 3.16Å; T403-S410 PolarHBondContact N-O 3.37Å; T403-S410 PolarHBondContact O-N 3.19Å; T403-S410 PolarHBondContact O-OG 3.31Å
411	G	89.1	Confident	89.3	Confident	26 Å²	26	56 Å²	56	27%	0.268	34%	0.335	S	S	.	.	S	Bend	trans	75.3	23.4	179.5	0	0	0	0	0	114.3	S374 S402 Q413	S374-G411 PolarHBondContact O-N 3.04Å; S374-G411 VanDerWaalsContact O-N 3.13Å; S374-G411 PolarHBondContact OG-N 3.39Å; S402-G411 PolarHBondContact OG-O 3.04Å; S402-G411 VanDerWaalsContact OG-O 3.08Å; G411-Q413 PolarHBondContact O-NE2 3.43Å
412	V	91.4	Very high	89.8	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.012	30%	0.295	C	S	.	.			trans	-72.6	130.3	177.1	-174.4	0	0	0	0	109.7	Q128 S374 V376 P399 S402 C409 Q416 V418	Q128-V412 HydrophobicContact CB-CG1 3.88Å; Q128-V412 HydrophobicContact CG-CB 4.49Å; Q128-V412 HydrophobicContact CG-CG1 3.98Å; S374-V412 WeakPolarHBondContact CA-O 3.36Å; S374-V412 WeakPolarHBondContact O-CB 3.47Å; S374-V412 WeakPolarHBondContact O-CG2 3.34Å; S374-V412 PolarHBondContact O-N 3.12Å; V376-V412 HydrophobicContact CB-CG2 4.45Å; V376-V412 HydrophobicContact CG2-CB 4.04Å; V376-V412 HydrophobicContact CG2-CG1 4.1Å; V376-V412 HydrophobicContact CG2-CG2 4Å; P399-V412 HydrophobicContact CG-CG1 4.21Å; P399-V412 HydrophobicContact CG-CG2 4.48Å; S402-V412 WeakPolarHBondContact OG-CA 3.49Å; S402-V412 PolarHBondContact OG-N 2.99Å; C409-V412 HydrophobicContact CB-CG2 3.69Å; V412-Q416 HydrophobicContact CG1-CB 3.95Å; V412-V418 HydrophobicContact CB-CG2 4.49Å; V412-V418 HydrophobicContact CG1-CG2 3.94Å; V412-V418 HydrophobicContact CG2-CG2 3.73Å
413	Q	90.4	Very high	90	Very high	109 Å²	109	52 Å²	52	51%	0.509	29%	0.294	S	S	.	.			trans	-88.2	156.4	-178.3	-58.8	-59.4	-48.9	0	0	112.3	G411 G415 Q416	G411-Q413 PolarHBondContact O-NE2 3.43Å; Q413-G415 PolarHBondContact O-N 2.95Å; Q413-Q416 HydrophobicContact CB-CG 4.06Å; Q413-Q416 WeakPolarHBondContact O-CB 3.45Å; Q413-Q416 PolarHBondContact O-N 2.88Å; Q413-Q416 VanDerWaalsContact O-N 3.1Å
414	P	87.6	Confident	90.3	Very high	77 Å²	77	47.7 Å²	47.7	50%	0.5	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.2	125.3	171.8	-31.8	38.4	0	0	0	115.3	Q416	P414-Q416 VanDerWaalsContact C-N 3.28Å; P414-Q416 PolarHBondContact O-N 2.86Å
415	G	87.4	Confident	90.5	Very high	41 Å²	41	44.9 Å²	44.9	42%	0.423	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-3.7	177.5	0	0	0	0	0	115.9	Q128 Q413	Q128-G415 WeakPolarHBondContact O-CA 3.46Å; Q128-G415 PolarHBondContact O-N 2.82Å; Q128-G415 VanDerWaalsContact O-N 3.13Å; Q413-G415 PolarHBondContact O-N 2.95Å
416	Q	92.3	Very high	90.9	Very high	56 Å²	56	39.2 Å²	39.2	26%	0.262	22%	0.22	S	C	.	.			trans	-72	154.6	170.7	-67.6	-175	-36.9	0	0	111.3	Q128 P399 V412 Q413 P414	Q128-Q416 WeakPolarHBondContact CB-O 3.48Å; Q128-Q416 PolarHBondContact N-O 3.16Å; P399-Q416 HydrophobicContact CB-CB 4.42Å; P399-Q416 HydrophobicContact CG-CB 4.14Å; V412-Q416 HydrophobicContact CG1-CB 3.95Å; Q413-Q416 HydrophobicContact CB-CG 4.06Å; Q413-Q416 WeakPolarHBondContact O-CB 3.45Å; Q413-Q416 PolarHBondContact O-N 2.88Å; Q413-Q416 VanDerWaalsContact O-N 3.1Å; P414-Q416 VanDerWaalsContact C-N 3.28Å; P414-Q416 PolarHBondContact O-N 2.86Å
417	T	93.2	Very high	91.2	Very high	43 Å²	43	40.3 Å²	40.3	26%	0.264	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	132	176.9	-54.4	0	0	0	0	109.9	A125 V126 Y419	A125-T417 HydrophobicContact CB-CG2 3.91Å; V126-T417 WeakPolarHBondContact O-CA 3.19Å; T417-Y419 HydrophobicContact CG2-CE1 4.07Å; T417-Y419 HydrophobicContact CG2-CE2 4.16Å
418	V	95.1	Very high	91.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.6	169.8	-179.8	0	0	0	0	108.5	A125 V126 V376 C409 V412 F420	A125-V418 WeakPolarHBondContact CA-O 3.42Å; V126-V418 PolarHBondContact N-O 3.16Å; V126-V418 PolarHBondContact O-N 3.32Å; V376-V418 HydrophobicContact CB-CB 4.44Å; V376-V418 HydrophobicContact CB-CG2 3.9Å; V376-V418 HydrophobicContact CG1-CB 4.09Å; V376-V418 HydrophobicContact CG1-CG2 4.05Å; V376-V418 HydrophobicContact CG2-CG2 4.08Å; C409-V418 HydrophobicContact CB-CG1 4.08Å; C409-V418 HydrophobicContact CB-CG2 4.08Å; C409-V418 WeakPolarHBondContact SG-CG1 3.26Å; V412-V418 HydrophobicContact CB-CG2 4.49Å; V412-V418 HydrophobicContact CG1-CG2 3.94Å; V412-V418 HydrophobicContact CG2-CG2 3.73Å; V418-F420 HydrophobicContact CB-CE2 4.06Å; V418-F420 HydrophobicContact CB-CZ 4.45Å; V418-F420 HydrophobicContact CG1-CD2 4.15Å; V418-F420 HydrophobicContact CG1-CE1 4.27Å; V418-F420 HydrophobicContact CG1-CE2 3.51Å; V418-F420 HydrophobicContact CG1-CZ 3.58Å
419	Y	95.5	Very high	91	Very high	111 Å²	111	38.8 Å²	38.8	44%	0.435	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.4	175.9	-57.8	-89.7	0	0	0	109.3	V123 V124 A125 I397 T417	V123-Y419 HydrophobicContact CG1-CD1 3.85Å; V123-Y419 HydrophobicContact CG1-CG 4.3Å; V124-Y419 CarbonylContact O-C 3.57Å; V124-Y419 WeakPolarHBondContact O-CA 3.39Å; A125-Y419 HydrophobicContact CB-CD1 3.75Å; A125-Y419 HydrophobicContact CB-CE1 3.76Å; I397-Y419 WeakPolarHBondContact CA-O 3.18Å; I397-Y419 WeakPolarHBondContact CB-O 2.95Å; I397-Y419 PolarHBondContact N-O 2.88Å; I397-Y419 PolarHBondContact O-N 3.39Å; T417-Y419 HydrophobicContact CG2-CE1 4.07Å; T417-Y419 HydrophobicContact CG2-CE2 4.16Å
420	F	95.8	Very high	90.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.1	174.8	-65	-87	0	0	0	108.2	V123 V124 V126 V376 V378 V394 P396 Q407 V418 I422	V123-F420 WeakPolarHBondContact CA-O 3.02Å; V124-F420 PolarHBondContact N-O 3.23Å; V124-F420 PolarHBondContact O-N 2.96Å; V126-F420 HydrophobicContact CB-CE2 4.1Å; V126-F420 HydrophobicContact CG2-CD2 3.84Å; V126-F420 HydrophobicContact CG2-CE2 3.76Å; V376-F420 HydrophobicContact CG1-CE2 4.02Å; V376-F420 HydrophobicContact CG1-CZ 4.07Å; V378-F420 HydrophobicContact CG1-CD1 4.15Å; V378-F420 HydrophobicContact CG1-CD2 3.55Å; V378-F420 HydrophobicContact CG1-CE1 4.16Å; V378-F420 HydrophobicContact CG1-CE2 3.58Å; V378-F420 HydrophobicContact CG1-CG 3.84Å; V378-F420 HydrophobicContact CG1-CZ 3.89Å; V378-F420 HydrophobicContact CG2-CB 4.39Å; V378-F420 HydrophobicContact CG2-CD1 3.62Å; V378-F420 HydrophobicContact CG2-CD2 4.46Å; V378-F420 HydrophobicContact CG2-CE1 3.94Å; V378-F420 HydrophobicContact CG2-CG 3.9Å; V378-F420 HydrophobicContact CG2-CZ 4.5Å; V394-F420 HydrophobicContact CG1-CB 4.5Å; V394-F420 HydrophobicContact CG1-CD1 3.97Å; P396-F420 HydrophobicContact CB-CD1 4Å; P396-F420 HydrophobicContact CB-CE1 3.87Å; Q407-F420 WeakPolarHBondContact O-CE1 3.36Å; V418-F420 HydrophobicContact CB-CE2 4.06Å; V418-F420 HydrophobicContact CB-CZ 4.45Å; V418-F420 HydrophobicContact CG1-CD2 4.15Å; V418-F420 HydrophobicContact CG1-CE1 4.27Å; V418-F420 HydrophobicContact CG1-CE2 3.51Å; V418-F420 HydrophobicContact CG1-CZ 3.58Å; F420-I422 HydrophobicContact CB-CG1 4.3Å
421	N	95.7	Very high	90.1	Very high	51 Å²	51	46.7 Å²	46.7	27%	0.273	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.8	169.6	-174.6	19.5	0	0	0	108.3	F122 S395 I397	F122-N421 PolarHBondContact O-OD1 3.25Å; S395-N421 PolarHBondContact N-O 3.36Å; S395-N421 PolarHBondContact O-N 2.89Å; I397-N421 HydrophobicContact CD1-CB 4.43Å
422	I	95.9	Very high	89.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119	-174.5	-57.4	179.4	0	0	0	107.3	S121 F122 V124 V392 S393 F420 V424 M440 V442	S121-I422 VanDerWaalsContact CA-O 3.29Å; S121-I422 WeakPolarHBondContact CA-O 3.26Å; F122-I422 HydrophobicContact CD2-CB 4.15Å; F122-I422 HydrophobicContact CE2-CB 3.73Å; F122-I422 HydrophobicContact CE2-CD1 4.21Å; F122-I422 HydrophobicContact CE2-CG1 4.48Å; F122-I422 HydrophobicContact CE2-CG2 3.89Å; F122-I422 HydrophobicContact CZ-CB 4.09Å; F122-I422 HydrophobicContact CZ-CG2 3.8Å; F122-I422 PolarHBondContact N-O 3.3Å; F122-I422 PolarHBondContact O-N 3.1Å; V124-I422 HydrophobicContact CB-CD1 4.26Å; V124-I422 HydrophobicContact CG2-CD1 3.77Å; V392-I422 HydrophobicContact CG1-CG2 3.85Å; S393-I422 WeakPolarHBondContact O-CA 3.17Å; F420-I422 HydrophobicContact CB-CG1 4.3Å; I422-V424 HydrophobicContact CG2-CG2 4.14Å; I422-M440 HydrophobicContact CG2-CE 3.77Å; I422-V442 HydrophobicContact CD1-CB 4.07Å; I422-V442 HydrophobicContact CD1-CG1 3.53Å; I422-V442 HydrophobicContact CD1-CG2 3.41Å; I422-V442 VanDerWaalsContact CD1-CG2 3.41Å
423	T	94.4	Very high	88.8	Confident	17 Å²	17	52.2 Å²	52.2	10%	0.104	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.1	175.7	-56.7	0	0	0	0	109	E119 A120 S121 W391 V392 S393	E119-T423 HydrophobicContact CB-CG2 4.01Å; E119-T423 HydrophobicContact CG-CG2 4.24Å; A120-T423 CarbonylContact O-C 3.4Å; A120-T423 WeakPolarHBondContact O-CA 3.36Å; S121-T423 PolarHBondContact OG-OG1 3.43Å; W391-T423 HydrophobicContact CH2-CG2 3.65Å; W391-T423 HydrophobicContact CZ3-CG2 4.11Å; V392-T423 CarbonylContact C-O 3.57Å; V392-T423 WeakPolarHBondContact CA-O 3.45Å; S393-T423 PolarHBondContact N-O 3.13Å; S393-T423 PolarHBondContact O-N 3.1Å
424	V	94	Very high	88.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	127	178.5	-173.9	0	0	0	0	108.4	I111 L113 E119 A120 F122 Y390 V392 I422 M440 I455	I111-V424 HydrophobicContact CD1-CB 4.07Å; I111-V424 HydrophobicContact CD1-CG1 4.23Å; I111-V424 HydrophobicContact CD1-CG2 4.43Å; L113-V424 HydrophobicContact CD1-CB 4.43Å; L113-V424 HydrophobicContact CD1-CG1 3.97Å; E119-V424 WeakPolarHBondContact CA-O 3.4Å; A120-V424 PolarHBondContact N-O 3.39Å; A120-V424 PolarHBondContact O-N 2.82Å; F122-V424 HydrophobicContact CE1-CG2 3.83Å; F122-V424 HydrophobicContact CZ-CG2 3.89Å; Y390-V424 HydrophobicContact CD1-CG1 4.39Å; V392-V424 HydrophobicContact CG1-CG2 4.44Å; V392-V424 HydrophobicContact CG2-CG1 4.44Å; V392-V424 HydrophobicContact CG2-CG2 4.35Å; I422-V424 HydrophobicContact CG2-CG2 4.14Å; V424-M440 HydrophobicContact CG1-SD 4.42Å; V424-M440 HydrophobicContact CG2-CE 3.75Å; V424-M440 HydrophobicContact CG2-SD 3.73Å; V424-I455 HydrophobicContact CG1-CD1 4.08Å
425	G	90.8	Very high	88.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	148	173.9	0	0	0	0	0	111.9	Y390 W391	Y390-G425 WeakPolarHBondContact CA-O 3.46Å; W391-G425 PolarHBondContact N-O 2.91Å; W391-G425 PolarHBondContact O-N 3.01Å
426	Q	88.1	Confident	88.2	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.023	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123	178.3	-174.3	174.9	-4.4	0	0	110.3	L113 Y390 S428 S457	L113-Q426 HydrophobicContact CB-CB 4.25Å; L113-Q426 HydrophobicContact CD1-CB 4.39Å; Y390-Q426 HydrophobicContact CD1-CB 3.99Å; Y390-Q426 HydrophobicContact CD1-CG 4.16Å; Y390-Q426 HydrophobicContact CE1-CB 3.88Å; Y390-Q426 HydrophobicContact CE1-CG 3.77Å; Q426-S428 WeakPolarHBondContact CG-O 3.41Å; Q426-S428 PolarHBondContact NE2-O 2.81Å; Q426-S457 PolarHBondContact NE2-OG 3.09Å; Q426-S457 VanDerWaalsContact NE2-OG 3.11Å; Q426-S457 PolarHBondContact OE1-OG 3.12Å
427	R	85.3	Confident	88	Confident	164 Å²	164	52.6 Å²	52.6	62%	0.619	27%	0.274	S	S	*	.			trans	-79.3	-48.5	176.7	-60.9	-177.9	-178.8	-87.5	0.3	111.2	R389	R389-R427 WeakPolarHBondContact O-CB 3.48Å; R389-R427 PolarHBondContact O-N 2.84Å
428	S	83.8	Confident	88	Confident	54 Å²	54	50.6 Å²	50.6	38%	0.378	26%	0.261	S	S	.	.			trans	-147.9	165.3	-173.7	60.2	0	0	0	0	112.6	Q426	Q426-S428 WeakPolarHBondContact CG-O 3.41Å; Q426-S428 PolarHBondContact NE2-O 2.81Å
429	C	83.4	Confident	87.9	Confident	31 Å²	31	58.3 Å²	58.3	21%	0.209	29%	0.291	C	S	.	.			trans	-81.8	165.9	168.8	-77.5	0	0	0	0	111.8	P115 R389 C459	P115-C429 HydrophobicContact CG-CB 4.32Å; P115-C429 WeakPolarHBondContact CG-SG 3.24Å; R389-C429 WeakPolarHBondContact CD-O 3.18Å; C429-C459 HydrophobicContact CB-CB 3.88Å; C429-C459 WeakPolarHBondContact CB-SG 3.24Å; C429-C459 WeakPolarHBondContact SG-CA 3.3Å; C429-C459 WeakPolarHBondContact SG-CB 3.48Å; C429-C459 CovalentContact SG-SG 2Å; C429-C459 PolarHBondContact SG-SG 2.89Å
430	P	83.7	Confident	87.8	Confident	15 Å²	15	53 Å²	53	10%	0.097	27%	0.27	C	S	.	.			trans	-59.1	159.4	164.8	-16.1	30.7	0	0	0	111.3	D432 G433 E436	P430-D432 WeakPolarHBondContact CB-OD1 3.44Å; P430-D432 PolarHBondContact O-N 2.92Å; P430-G433 PolarHBondContact O-N 3.38Å; P430-E436 HydrophobicContact CG-CB 3.89Å; P430-E436 WeakPolarHBondContact CG-OE2 3.39Å
431	D	80.3	Confident	87.6	Confident	178 Å²	178	56.4 Å²	56.4	95%	0.952	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.4	-173.6	-64.2	-32.9	0	0	0	113.5	G433	D431-G433 VanDerWaalsContact C-N 3.27Å
432	D	78.5	Confident	87.5	Confident	115 Å²	115	54 Å²	54	62%	0.615	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.5	174.4	60.7	8.3	0	0	0	113.2	P430 E434	P430-D432 WeakPolarHBondContact CB-OD1 3.44Å; P430-D432 PolarHBondContact O-N 2.92Å; D432-E434 HydrophobicContact CB-CG 4.37Å; D432-E434 PolarHBondContact O-N 2.76Å; D432-E434 PolarHBondContact OD1-N 2.92Å; D432-E434 VanDerWaalsContact OD1-N 3.09Å
433	G	74.8	Confident	87.1	Confident	29 Å²	29	56.2 Å²	56.2	30%	0.299	29%	0.285	S	S	.	.			trans	68.7	10.2	-179.4	0	0	0	0	0	114.2	P430 D431 C459 Q460	P430-G433 PolarHBondContact O-N 3.38Å; D431-G433 VanDerWaalsContact C-N 3.27Å; G433-C459 VanDerWaalsContact O-CB 3.32Å; G433-C459 WeakPolarHBondContact O-CB 3.46Å; G433-Q460 WeakPolarHBondContact O-CG 3.44Å
434	E	81.6	Confident	86.8	Confident	92 Å²	92	55.4 Å²	55.4	43%	0.43	28%	0.28	S	S	.	.			trans	-82.5	160.7	-179.3	-69.8	-63.8	150.9	0	0	112	D432 Q460	D432-E434 HydrophobicContact CB-CG 4.37Å; D432-E434 PolarHBondContact O-N 2.76Å; D432-E434 PolarHBondContact OD1-N 2.92Å; D432-E434 VanDerWaalsContact OD1-N 3.09Å; E434-Q460 PolarHBondContact OE1-NE2 2.67Å; E434-Q460 PolarHBondContact OE2-NE2 3.5Å
435	D	84.5	Confident	86	Confident	56 Å²	56	55.8 Å²	55.8	30%	0.299	28%	0.282	S	S	.	.			trans	-69.8	133.7	171.3	-63.4	-21.2	0	0	0	109.1	S457 K458 C459 Q460 K462	D435-S457 VanDerWaalsContact CA-O 3.22Å; D435-S457 WeakPolarHBondContact CA-O 3.37Å; D435-S457 WeakPolarHBondContact CB-O 3.15Å; D435-K458 WeakPolarHBondContact OD1-CA 3.06Å; D435-C459 PolarHBondContact OD1-N 3.12Å; D435-Q460 PolarHBondContact OD1-N 3.38Å; D435-K462 IonicContact OD2-NZ 3.33Å; D435-K462 PolarHBondContact OD2-NZ 2.95Å
436	E	85.8	Confident	85.2	Confident	34 Å²	34	56 Å²	56	16%	0.159	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140.4	-178.4	-176.5	-178.2	-154.9	0	0	110.8	K385 R389 P430 V438 S457	K385-E436 VanDerWaalsContact CE-OE1 3.3Å; K385-E436 WeakPolarHBondContact CE-OE1 3.42Å; K385-E436 IonicContact NZ-OE1 2.84Å; K385-E436 PolarHBondContact NZ-OE1 3.23Å; R389-E436 IonicContact CZ-OE2 2.76Å; R389-E436 IonicContact NE-OE2 3.17Å; R389-E436 IonicContact NH2-OE1 3.76Å; R389-E436 IonicContact NH2-OE2 3.35Å; R389-E436 PolarHBondContact NH2-OE2 3.41Å; P430-E436 HydrophobicContact CG-CB 3.89Å; P430-E436 WeakPolarHBondContact CG-OE2 3.39Å; E436-V438 HydrophobicContact CG-CG2 3.95Å; E436-S457 PolarHBondContact N-O 3.3Å; E436-S457 WeakPolarHBondContact O-CB 3.37Å; E436-S457 PolarHBondContact O-N 3.07Å
437	D	88.9	Confident	84.7	Confident	108 Å²	108	55.9 Å²	55.9	58%	0.578	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	121.2	168	-74.7	-5.2	0	0	0	109.6	I455 R456	D437-I455 CarbonylContact C-O 3.43Å; D437-I455 WeakPolarHBondContact CA-O 3.49Å; D437-R456 VanDerWaalsContact OD1-CG 3.24Å; D437-R456 WeakPolarHBondContact OD1-CG 3.41Å
438	V	91.3	Very high	84.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137	-178.9	176.5	0	0	0	0	109.5	V382 E383 A386 Y390 E436 I455	V382-V438 HydrophobicContact CG1-CG1 4.02Å; E383-V438 HydrophobicContact CB-CG1 4.35Å; A386-V438 HydrophobicContact CB-CB 4.47Å; A386-V438 HydrophobicContact CB-CG1 3.66Å; A386-V438 HydrophobicContact CB-CG2 3.91Å; Y390-V438 HydrophobicContact CE2-CB 4.38Å; Y390-V438 HydrophobicContact CE2-CG1 4.22Å; Y390-V438 HydrophobicContact CE2-CG2 4.09Å; Y390-V438 WeakPolarHBondContact OH-CG2 3.49Å; E436-V438 HydrophobicContact CG-CG2 3.95Å; V438-I455 HydrophobicContact CB-CB 4.33Å; V438-I455 PolarHBondContact N-O 3.26Å; V438-I455 WeakPolarHBondContact O-CB 3.44Å; V438-I455 PolarHBondContact O-N 3.49Å
439	R	93.4	Very high	84.4	Confident	163 Å²	163	52.2 Å²	52.2	62%	0.615	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	137.4	172.5	-58.9	178.8	175	-172.5	-2.2	111.7	E383	E383-R439 HydrophobicContact CG-CB 4.38Å; E383-R439 PolarHBondContact N-O 3.46Å; E383-R439 WeakPolarHBondContact OE1-CB 3.39Å; E383-R439 WeakPolarHBondContact OE1-CG 3.33Å; E383-R439 PolarHBondContact OE1-N 2.91Å
440	M	94.3	Very high	84.7	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.5	170.3	168.9	-177	155.9	0	0	108.7	F122 V380 S381 V382 V392 I422 V424 V442 I453 I455	F122-M440 HydrophobicContact CZ-CE 4.45Å; V380-M440 HydrophobicContact CG1-CE 3.37Å; V380-M440 HydrophobicContact CG1-CG 4.05Å; V380-M440 HydrophobicContact CG1-SD 4.13Å; V380-M440 HydrophobicContact CG2-CE 4.44Å; S381-M440 CarbonylContact O-C 3.49Å; S381-M440 VanDerWaalsContact O-CA 3.3Å; S381-M440 WeakPolarHBondContact O-CA 3.28Å; S381-M440 WeakPolarHBondContact O-CG 3.36Å; V382-M440 HydrophobicContact CG2-CB 4.21Å; V382-M440 HydrophobicContact CG2-CG 3.95Å; V382-M440 HydrophobicContact CG2-SD 4.21Å; V392-M440 HydrophobicContact CG1-CE 3.89Å; V392-M440 HydrophobicContact CG2-CE 4.06Å; V392-M440 HydrophobicContact CG2-SD 4.03Å; I422-M440 HydrophobicContact CG2-CE 3.77Å; V424-M440 HydrophobicContact CG1-SD 4.42Å; V424-M440 HydrophobicContact CG2-CE 3.75Å; V424-M440 HydrophobicContact CG2-SD 3.73Å; M440-V442 HydrophobicContact CE-CG2 3.84Å; M440-I453 HydrophobicContact CB-CB 4.16Å; M440-I453 HydrophobicContact CE-CD1 4.5Å; M440-I453 HydrophobicContact CG-CD1 4.34Å; M440-I453 PolarHBondContact N-O 2.67Å; M440-I453 PolarHBondContact O-N 2.77Å; M440-I455 HydrophobicContact CB-CD1 3.9Å; M440-I455 HydrophobicContact CB-CG1 4.46Å; M440-I455 HydrophobicContact SD-CD1 4.19Å
441	L	91.9	Very high	85.1	Confident	71 Å²	71	51.2 Å²	51.2	37%	0.372	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.9	179.2	-66.8	165.7	0	0	0	109.3	V380 S381 V452	V380-L441 WeakPolarHBondContact CA-O 3.4Å; S381-L441 PolarHBondContact N-O 3.18Å; S381-L441 PolarHBondContact O-N 3.13Å; L441-V452 HydrophobicContact CD2-CB 4.3Å; L441-V452 HydrophobicContact CD2-CG1 4.32Å; L441-V452 HydrophobicContact CD2-CG2 3.77Å
442	V	92.6	Very high	85.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	112.4	168.3	175.4	0	0	0	0	107.1	V124 V378 V380 I422 M440 S450 T451 I453	V124-V442 HydrophobicContact CG1-CG1 4.4Å; V124-V442 HydrophobicContact CG2-CG1 4.35Å; V378-V442 HydrophobicContact CB-CG1 4.11Å; V378-V442 HydrophobicContact CG1-CG1 4.21Å; V380-V442 HydrophobicContact CG2-CG2 4.29Å; I422-V442 HydrophobicContact CD1-CB 4.07Å; I422-V442 HydrophobicContact CD1-CG1 3.53Å; I422-V442 HydrophobicContact CD1-CG2 3.41Å; I422-V442 VanDerWaalsContact CD1-CG2 3.41Å; M440-V442 HydrophobicContact CE-CG2 3.84Å; V442-S450 WeakPolarHBondContact O-CB 3.39Å; V442-T451 PolarHBondContact N-O 3.48Å; V442-T451 PolarHBondContact O-N 3.49Å; V442-I453 HydrophobicContact CB-CD1 4.04Å; V442-I453 HydrophobicContact CG2-CD1 3.42Å; V442-I453 VanDerWaalsContact CG2-CD1 3.42Å
443	H	88.2	Confident	86.6	Confident	47 Å²	47	39.2 Å²	39.2	22%	0.218	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	110.5	-174.1	-176.6	76.3	0	0	0	110.2	S379 V445 Y447	S379-H443 PolarHBondContact N-O 2.97Å; S379-H443 PolarHBondContact O-N 3.22Å; S379-H443 PolarHBondContact OG-O 3Å; H443-V445 PolarHBondContact O-N 2.81Å; H443-Y447 PolarHBondContact CE1-O 2.88Å
444	P	87.1	Confident	87.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.7	171.4	-23.4	37.9	0	0	0	110.9	V104 V126 A377 V378 G446 Y447 E449	V104-P444 HydrophobicContact CB-CG 4.46Å; V104-P444 HydrophobicContact CG1-CG 3.88Å; V104-P444 HydrophobicContact CG2-CB 4.44Å; V104-P444 HydrophobicContact CG2-CG 3.68Å; V126-P444 HydrophobicContact CG1-CB 3.86Å; V126-P444 HydrophobicContact CG1-CG 4.15Å; V126-P444 HydrophobicContact CG2-CB 4.05Å; V126-P444 HydrophobicContact CG2-CG 3.58Å; A377-P444 WeakPolarHBondContact O-CA 3.44Å; V378-P444 HydrophobicContact CG1-CB 4.32Å; V378-P444 HydrophobicContact CG1-CG 4.17Å; P444-G446 PolarHBondContact O-N 3.08Å; P444-G446 VanDerWaalsContact O-N 3.17Å; P444-Y447 HydrophobicContact CB-CD2 3.48Å; P444-Y447 VanDerWaalsContact CB-CD2 3.48Å; P444-Y447 HydrophobicContact CB-CE2 3.96Å; P444-Y447 HydrophobicContact CB-CG 3.89Å; P444-Y447 PolarHBondContact O-N 2.97Å; P444-Y447 VanDerWaalsContact O-N 3.16Å; P444-E449 WeakPolarHBondContact CD-O 3.38Å
445	V	78.9	Confident	88	Confident	8 Å²	8	34.8 Å²	34.8	5%	0.048	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	118.7	-173.1	177.2	0	0	0	0	110.8	K264 H323 A377 H443	K264-V445 WeakPolarHBondContact CE-O 3.32Å; K264-V445 PolarHBondContact NZ-O 2.86Å; H323-V445 HydrophobicContact CB-CG1 3.54Å; A377-V445 HydrophobicContact CB-CG2 4.18Å; A377-V445 PolarHBondContact O-N 2.79Å; H443-V445 PolarHBondContact O-N 2.81Å
446	G	72.4	Confident	88.3	Confident	4 Å²	4	38.1 Å²	38.1	4%	0.041	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	28.7	-179.9	0	0	0	0	0	114.2	Y132 E262 P444	Y132-G446 WeakPolarHBondContact CD1-O 3.39Å; E262-G446 CarbonylContact O-C 3.58Å; P444-G446 PolarHBondContact O-N 3.08Å; P444-G446 VanDerWaalsContact O-N 3.17Å
447	Y	78.8	Confident	88.4	Confident	3 Å²	3	36.6 Å²	36.6	1%	0.012	18%	0.178	C	C	.	.			trans	-118.8	148.7	171.2	-68.3	-107.6	0	0	0	109.5	Q103 V104 V126 K127 L129 Y132 H443 P444 E449	Q103-Y447 HydrophobicContact CB-CD1 4.1Å; Q103-Y447 HydrophobicContact CB-CE1 4.34Å; V104-Y447 HydrophobicContact CG2-CD1 4.3Å; V126-Y447 HydrophobicContact CG1-CE1 3.86Å; V126-Y447 HydrophobicContact CG1-CE2 3.86Å; V126-Y447 VanDerWaalsContact CG1-CZ 3.44Å; V126-Y447 WeakPolarHBondContact CG1-OH 3.3Å; K127-Y447 WeakPolarHBondContact O-CE1 3.38Å; K127-Y447 PolarHBondContact O-OH 3.23Å; L129-Y447 HydrophobicContact CD1-CD1 4.49Å; L129-Y447 HydrophobicContact CD1-CE1 4.42Å; L129-Y447 HydrophobicContact CG-CE1 4.26Å; Y132-Y447 HydrophobicContact CE1-CD1 4.2Å; Y132-Y447 HydrophobicContact CE1-CD2 4.19Å; Y132-Y447 AromaticContact CE1-CE1 3.81Å; Y132-Y447 HydrophobicContact CE1-CE1 3.81Å; Y132-Y447 AromaticContact CE1-CE2 3.81Å; Y132-Y447 HydrophobicContact CE1-CE2 3.81Å; Y132-Y447 HydrophobicContact CE1-CG 4.4Å; Y132-Y447 AromaticContact CE1-CZ 3.64Å; Y132-Y447 AromaticContact CZ-CZ 3.81Å; Y132-Y447 PolarHBondContact OH-OH 2.91Å; H443-Y447 PolarHBondContact CE1-O 2.88Å; P444-Y447 HydrophobicContact CB-CD2 3.48Å; P444-Y447 VanDerWaalsContact CB-CD2 3.48Å; P444-Y447 HydrophobicContact CB-CE2 3.96Å; P444-Y447 HydrophobicContact CB-CG 3.89Å; P444-Y447 PolarHBondContact O-N 2.97Å; P444-Y447 VanDerWaalsContact O-N 3.16Å; Y447-E449 VanDerWaalsContact C-N 3.32Å
448	N	76.9	Confident	88.2	Confident	111 Å²	111	36.1 Å²	36.1	59%	0.594	17%	0.171	S	C	*	.	S	Bend	trans	-83	-14.6	173	63.6	-10.5	0	0	0	112.5	Q103 E262	Q103-N448 PolarHBondContact OE1-OD1 2.88Å; E262-N448 HydrophobicContact CB-CB 3.92Å
449	E	85.3	Confident	87.7	Confident	30 Å²	30	36.8 Å²	36.8	14%	0.14	18%	0.175	C	C	.	.			trans	-96.8	140.6	-179.9	-73.9	-178.9	-173.9	0	0	111.2	S101 T102 Q103 V104 R107 P444 Y447	S101-E449 PolarHBondContact OG-OE2 3.48Å; T102-E449 PolarHBondContact OG1-OE1 3.33Å; Q103-E449 WeakPolarHBondContact CA-OE2 3.48Å; Q103-E449 VanDerWaalsContact CB-OE2 3.24Å; Q103-E449 WeakPolarHBondContact CB-OE2 3.02Å; Q103-E449 PolarHBondContact N-OE2 3.31Å; V104-E449 HydrophobicContact CB-CB 3.91Å; V104-E449 HydrophobicContact CG2-CB 3.69Å; V104-E449 PolarHBondContact N-OE2 3.32Å; R107-E449 VanDerWaalsContact NH1-CG 3.27Å; P444-E449 WeakPolarHBondContact CD-O 3.38Å; Y447-E449 VanDerWaalsContact C-N 3.32Å
450	S	89.6	Confident	87	Confident	25 Å²	25	32.2 Å²	32.2	18%	0.175	16%	0.161	C	C	.	.			trans	-138	160.2	176.6	60.8	0	0	0	0	110.8	R107 V442	R107-S450 PolarHBondContact NH1-O 2.77Å; V442-S450 WeakPolarHBondContact O-CB 3.39Å
451	T	92.9	Very high	86.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	127.5	169.9	-57.2	0	0	0	0	109.1	P106 R107 I109 V124 V442 I453	P106-T451 WeakPolarHBondContact O-CB 3.47Å; P106-T451 WeakPolarHBondContact O-CG2 3.35Å; P106-T451 PolarHBondContact O-OG1 3.5Å; R107-T451 WeakPolarHBondContact O-CA 3.36Å; I109-T451 HydrophobicContact CD1-CG2 3.82Å; I109-T451 HydrophobicContact CG1-CG2 3.94Å; V124-T451 WeakPolarHBondContact CG1-OG1 3.36Å; V124-T451 HydrophobicContact CG2-CG2 4.19Å; V442-T451 PolarHBondContact N-O 3.48Å; V442-T451 PolarHBondContact O-N 3.49Å; T451-I453 HydrophobicContact CG2-CD1 4.04Å; T451-I453 HydrophobicContact CG2-CG1 4.31Å; T451-I453 WeakPolarHBondContact O-CD1 3.15Å
452	V	94.1	Very high	85.4	Confident	42 Å²	42	35.3 Å²	35.3	26%	0.255	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	129.5	172.9	-173.8	0	0	0	0	108.7	R107 E108 I109 L441	R107-V452 PolarHBondContact O-N 3.46Å; E108-V452 WeakPolarHBondContact CA-O 3.38Å; I109-V452 PolarHBondContact N-O 2.88Å; L441-V452 HydrophobicContact CD2-CB 4.3Å; L441-V452 HydrophobicContact CD2-CG1 4.32Å; L441-V452 HydrophobicContact CD2-CG2 3.77Å
453	I	95	Very high	84.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.3	177.6	-56.6	91	0	0	0	108.2	I109 I111 F122 M440 V442 T451 I455	I109-I453 HydrophobicContact CB-CG1 4.26Å; I109-I453 CarbonylContact O-C 3.56Å; I109-I453 VanDerWaalsContact O-CA 3.28Å; I109-I453 WeakPolarHBondContact O-CA 3.45Å; I111-I453 HydrophobicContact CD1-CG2 4.09Å; I111-I453 HydrophobicContact CG1-CG2 4.1Å; I111-I453 HydrophobicContact CG2-CG2 4.37Å; F122-I453 HydrophobicContact CE1-CG2 4.35Å; F122-I453 HydrophobicContact CE2-CD1 4.37Å; F122-I453 HydrophobicContact CE2-CG1 3.87Å; F122-I453 HydrophobicContact CZ-CD1 4.49Å; F122-I453 HydrophobicContact CZ-CG1 3.79Å; F122-I453 HydrophobicContact CZ-CG2 4.09Å; M440-I453 HydrophobicContact CB-CB 4.16Å; M440-I453 HydrophobicContact CE-CD1 4.5Å; M440-I453 HydrophobicContact CG-CD1 4.34Å; M440-I453 PolarHBondContact N-O 2.67Å; M440-I453 PolarHBondContact O-N 2.77Å; V442-I453 HydrophobicContact CB-CD1 4.04Å; V442-I453 HydrophobicContact CG2-CD1 3.42Å; V442-I453 VanDerWaalsContact CG2-CD1 3.42Å; T451-I453 HydrophobicContact CG2-CD1 4.04Å; T451-I453 HydrophobicContact CG2-CG1 4.31Å; T451-I453 WeakPolarHBondContact O-CD1 3.15Å; I453-I455 HydrophobicContact CG2-CG1 3.98Å
454	S	94.6	Very high	82.6	Confident	28 Å²	28	34.7 Å²	34.7	20%	0.196	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	105.9	174.1	-66.3	0	0	0	0	108.8	I109 S110 I111	I109-S454 PolarHBondContact O-N 3.14Å; S110-S454 WeakPolarHBondContact CA-O 3.37Å; I111-S454 PolarHBondContact N-O 3.05Å
455	I	92.6	Very high	81	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.4	-178.5	-49.9	-179.2	0	0	0	108.5	I111 L113 Y390 V424 D437 V438 M440 I453	I111-I455 HydrophobicContact CD1-CB 4.4Å; I111-I455 HydrophobicContact CD1-CD1 4.27Å; I111-I455 HydrophobicContact CD1-CG1 3.82Å; I111-I455 HydrophobicContact CD1-CG2 4.14Å; I111-I455 HydrophobicContact CG1-CB 4.07Å; I111-I455 HydrophobicContact CG1-CG1 3.84Å; I111-I455 HydrophobicContact CG1-CG2 3.98Å; L113-I455 HydrophobicContact CD1-CG2 4.02Å; L113-I455 HydrophobicContact CG-CG2 4.41Å; Y390-I455 HydrophobicContact CE1-CG2 3.77Å; V424-I455 HydrophobicContact CG1-CD1 4.08Å; D437-I455 CarbonylContact C-O 3.43Å; D437-I455 WeakPolarHBondContact CA-O 3.49Å; V438-I455 HydrophobicContact CB-CB 4.33Å; V438-I455 PolarHBondContact N-O 3.26Å; V438-I455 WeakPolarHBondContact O-CB 3.44Å; V438-I455 PolarHBondContact O-N 3.49Å; M440-I455 HydrophobicContact CB-CD1 3.9Å; M440-I455 HydrophobicContact CB-CG1 4.46Å; M440-I455 HydrophobicContact SD-CD1 4.19Å; I453-I455 HydrophobicContact CG2-CG1 3.98Å
456	R	90.5	Very high	79.8	Confident	126 Å²	126	46 Å²	46	48%	0.475	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	110.9	170.9	-55.8	-156.5	176.5	151.8	4.9	109.7	I111 T112 L113 D437	I111-R456 PolarHBondContact O-N 2.99Å; T112-R456 WeakPolarHBondContact CA-O 3.4Å; T112-R456 HydrophobicContact CG2-CB 4.5Å; L113-R456 PolarHBondContact N-O 3.1Å; D437-R456 VanDerWaalsContact OD1-CG 3.24Å; D437-R456 WeakPolarHBondContact OD1-CG 3.41Å
457	S	87.4	Confident	79	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.007	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.7	175.5	-82	0	0	0	0	110.9	Y390 Q426 D435 E436	Y390-S457 PolarHBondContact OH-OG 3.16Å; Q426-S457 PolarHBondContact NE2-OG 3.09Å; Q426-S457 VanDerWaalsContact NE2-OG 3.11Å; Q426-S457 PolarHBondContact OE1-OG 3.12Å; D435-S457 VanDerWaalsContact CA-O 3.22Å; D435-S457 WeakPolarHBondContact CA-O 3.37Å; D435-S457 WeakPolarHBondContact CB-O 3.15Å; E436-S457 PolarHBondContact N-O 3.3Å; E436-S457 WeakPolarHBondContact O-CB 3.37Å; E436-S457 PolarHBondContact O-N 3.07Å
458	K	84.8	Confident	77.8	Confident	99 Å²	99	57.4 Å²	57.4	43%	0.43	31%	0.307	S	S	.	.			trans	-97.4	102.4	173.9	-75.6	-167.5	172.7	-168.7	0	110	T112 L113 R114 D435	T112-K458 HydrophobicContact CG2-CD 3.73Å; T112-K458 HydrophobicContact CG2-CG 3.84Å; L113-K458 PolarHBondContact O-N 3.21Å; R114-K458 VanDerWaalsContact CG-O 3.29Å; R114-K458 WeakPolarHBondContact CG-O 3.49Å; D435-K458 WeakPolarHBondContact OD1-CA 3.06Å
459	C	79.7	Confident	77	Confident	15 Å²	15	54.9 Å²	54.9	10%	0.101	30%	0.297	C	S	.	.			trans	-96.2	-40.9	-178.6	-72.2	0	0	0	0	111	R114 C429 G433 D435	R114-C459 PolarHBondContact NH1-O 3.39Å; C429-C459 HydrophobicContact CB-CB 3.88Å; C429-C459 WeakPolarHBondContact CB-SG 3.24Å; C429-C459 WeakPolarHBondContact SG-CA 3.3Å; C429-C459 WeakPolarHBondContact SG-CB 3.48Å; C429-C459 CovalentContact SG-SG 2Å; C429-C459 PolarHBondContact SG-SG 2.89Å; G433-C459 VanDerWaalsContact O-CB 3.32Å; G433-C459 WeakPolarHBondContact O-CB 3.46Å; D435-C459 PolarHBondContact OD1-N 3.12Å
460	Q	79.6	Confident	75.1	Confident	66 Å²	66	55.2 Å²	55.2	31%	0.308	31%	0.308	S	S	.	.	S	Bend	trans	-89.6	139.2	-175.6	-61.9	-173.3	-7.5	0	0	112.2	R114 G433 E434 D435	R114-Q460 PolarHBondContact NH2-O 2.88Å; G433-Q460 WeakPolarHBondContact O-CG 3.44Å; E434-Q460 PolarHBondContact OE1-NE2 2.67Å; E434-Q460 PolarHBondContact OE2-NE2 3.5Å; D435-Q460 PolarHBondContact OD1-N 3.38Å
461	C	78.9	Confident	73	Confident	36 Å²	36	56.5 Å²	56.5	24%	0.243	33%	0.325	C	S	.	.			trans	-78	128.8	167.5	-67.1	0	0	0	0	110.2	C42 F56 E87 R114	C42-C461 VanDerWaalsContact C-SG 3.59Å; C42-C461 HydrophobicContact CB-CB 3.66Å; C42-C461 WeakPolarHBondContact CB-SG 3.4Å; C42-C461 WeakPolarHBondContact SG-CB 3.19Å; C42-C461 CovalentContact SG-SG 2.04Å; C42-C461 PolarHBondContact SG-SG 3.47Å; F56-C461 HydrophobicContact CE2-CB 4.13Å; F56-C461 HydrophobicContact CZ-CB 3.78Å; E87-C461 HydrophobicContact CG-CB 4.2Å; R114-C461 VanDerWaalsContact NH2-CA 3.35Å; R114-C461 PolarHBondContact NH2-SG 3.09Å; R114-C461 VanDerWaalsContact NH2-SG 3.4Å
462	K	73.4	Confident	70.5	Confident	101 Å²	101	63.8 Å²	63.8	44%	0.439	37%	0.365	S	S	.	.			trans	-120.5	129.8	176.2	-71	169.7	179.5	157.5	0	109.4	D435	D435-K462 IonicContact OD2-NZ 3.33Å; D435-K462 PolarHBondContact OD2-NZ 2.95Å
463	C	67.4	Low	68	Low	6 Å²	6	69.8 Å²	69.8	4%	0.041	40%	0.395	C	S	.	.			trans	-88.7	114.6	177.5	43.5	0	0	0	0	110.4	F56 G467 R468 C469	F56-C463 HydrophobicContact CB-CB 3.78Å; F56-C463 HydrophobicContact CD1-CB 4.03Å; F56-C463 HydrophobicContact CD2-CB 3.81Å; F56-C463 HydrophobicContact CE2-CB 4.37Å; F56-C463 HydrophobicContact CG-CB 3.62Å; C463-G467 CarbonylContact O-C 3.31Å; C463-G467 VanDerWaalsContact O-CA 3.31Å; C463-G467 WeakPolarHBondContact O-CA 3.32Å; C463-G467 PolarHBondContact O-N 3.4Å; C463-R468 PolarHBondContact O-N 2.77Å; C463-C469 HydrophobicContact CB-CB 4.08Å; C463-C469 WeakPolarHBondContact CB-SG 3.31Å; C463-C469 WeakPolarHBondContact SG-CA 3.33Å; C463-C469 WeakPolarHBondContact SG-CB 3.39Å; C463-C469 PolarHBondContact SG-N 2.75Å; C463-C469 CovalentContact SG-SG 2.03Å; C463-C469 PolarHBondContact SG-SG 3.28Å
464	G	55.9	Low	65.3	Low	28 Å²	28	77.4 Å²	77.4	29%	0.289	44%	0.435	S	S	.	.	S	Bend	trans	68.4	176	178.7	0	0	0	0	0	114.8	T466 G467	G464-T466 PolarHBondContact O-N 3.3Å; G464-G467 PolarHBondContact O-N 2.89Å
465	P	52.2	Low	62.6	Low	136 Å²	136	80.5 Å²	80.5	88%	0.883	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.6	-174.5	18.5	-24	0	0	0	114.8
466	T	53.1	Low	60.2	Low	109 Å²	109	86.5 Å²	86.5	67%	0.669	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	1.9	-179.6	54.3	0	0	0	0	113.5	G464 R468	G464-T466 PolarHBondContact O-N 3.3Å; T466-R468 PolarHBondContact O-N 3.14Å; T466-R468 VanDerWaalsContact O-N 3.16Å
467	G	56.8	Low	57.6	Low	40 Å²	40	84.6 Å²	84.6	41%	0.412	50%	0.501	S	S	.	.	S	Bend	trans	65.4	10.6	-176.7	0	0	0	0	0	114.3	C463 G464	C463-G467 CarbonylContact O-C 3.31Å; C463-G467 VanDerWaalsContact O-CA 3.31Å; C463-G467 WeakPolarHBondContact O-CA 3.32Å; C463-G467 PolarHBondContact O-N 3.4Å; G464-G467 PolarHBondContact O-N 2.89Å
468	R	54.3	Low	55.3	Low	207 Å²	207	96.6 Å²	96.6	78%	0.781	55%	0.546	S	S	*	.			trans	-96.9	115.2	177.8	-69.1	-174	-179	-173.2	-0.4	109.2	C463 T466	C463-R468 PolarHBondContact O-N 2.77Å; T466-R468 PolarHBondContact O-N 3.14Å; T466-R468 VanDerWaalsContact O-N 3.16Å
469	C	58.5	Low	52.8	Low	57 Å²	57	95.3 Å²	95.3	39%	0.385	56%	0.561	S	S	.	*			trans	-76.4	140.6	167.1	-59.6	0	0	0	0	105.8	C463 G471	C463-C469 HydrophobicContact CB-CB 4.08Å; C463-C469 WeakPolarHBondContact CB-SG 3.31Å; C463-C469 WeakPolarHBondContact SG-CA 3.33Å; C463-C469 WeakPolarHBondContact SG-CB 3.39Å; C463-C469 PolarHBondContact SG-N 2.75Å; C463-C469 CovalentContact SG-SG 2.03Å; C463-C469 PolarHBondContact SG-SG 3.28Å; C469-G471 PolarHBondContact O-N 3.05Å
470	G	45.1	Very low	50.8	Low	37 Å²	37	99.8 Å²	99.8	38%	0.381	59%	0.592	S	S	.	*	S	Bend	trans	-55.3	129	160.2	0	0	0	0	0	107.3	E58	E58-G470 WeakPolarHBondContact CG-O 3.29Å
471	G	46.7	Very low	48.6	Very low	52 Å²	52	106 Å²	106	54%	0.536	62%	0.621	S	S	.	*	S	Bend	trans	102	115.5	170.4	0	0	0	0	0	115.7	E58 C469	E58-G471 WeakPolarHBondContact OE1-CA 3.36Å; E58-G471 PolarHBondContact OE1-N 2.96Å; C469-G471 PolarHBondContact O-N 3.05Å
472	N	40.7	Very low	46.4	Very low	154 Å²	154	113.3 Å²	113.3	82%	0.824	65%	0.651	S	S	*	*			trans	-54.7	150.2	169.5	-89.2	-19.1	0	0	0	113.1	L474	N472-L474 PolarHBondContact O-N 2.93Å
473	D	41	Very low	44.2	Very low	167 Å²	167	112.2 Å²	112.2	89%	0.893	67%	0.669	S	S	*	*			trans	-38.1	106.6	162.4	-67.9	-48.6	0	0	0	112.8
474	L	39.3	Very low	42.5	Very low	160 Å²	160	118 Å²	118	84%	0.838	70%	0.704	S	S	*	*			trans	-122.4	98.5	164.3	-81.6	161.8	0	0	0	108.5	N472	N472-L474 PolarHBondContact O-N 2.93Å
475	S	37.8	Very low	41.3	Very low	93 Å²	93	121.8 Å²	121.8	65%	0.65	73%	0.726	S	S	*	*			trans	-52.4	137.2	163.1	56.3	0	0	0	0	110.5	C477	S475-C477 PolarHBondContact O-N 3.11Å
476	P	40.6	Very low	40.4	Very low	127 Å²	127	124.1 Å²	124.1	83%	0.825	73%	0.725	S	S	*	*	S	Bend	trans	-74.4	12.2	-170	-17	31.2	0	0	0	117.3
477	C	37.7	Very low	39.1	Very low	86 Å²	86	127.3 Å²	127.3	58%	0.581	73%	0.732	S	S	*	*	S	Bend	trans	-139.1	64.7	-172.3	-64.3	0	0	0	0	113.8	S475	S475-C477 PolarHBondContact O-N 3.11Å
478	R	37.8	Very low	37.8	Very low	252 Å²	252	133.4 Å²	133.4	95%	0.951	75%	0.75	S	S	*	*			trans	-162.4	106.8	153.7	-130.9	177.5	178.2	-159.2	-0.5	111.6
479	G	33.2	Very low	36.4	Very low	73 Å²	73	135 Å²	135	75%	0.753	76%	0.756	S	S	*	*			trans	160	60.5	168.2	0	0	0	0	0	117.1
480	S	37.3	Very low	35.9	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	77%	0.774	S	S	*	*			trans	-157.4	67.7	149.9	-89.5	0	0	0	0	111
481	H	32.2	Very low	35.1	Very low	198 Å²	198	142.3 Å²	142.3	92%	0.917	79%	0.789	S	S	*	*			trans	-135.2	97.3	150.1	-78.1	-67.2	0	0	0	107.1	G483	H481-G483 PolarHBondContact O-N 3.13Å
482	H	32.9	Very low	34.3	Very low	188 Å²	188	147.9 Å²	147.9	87%	0.87	80%	0.801	S	S	*	*			trans	-63.6	117.3	165.6	-89	-80.8	0	0	0	108.6
483	G	28	Very low	33.8	Very low	79 Å²	79	143.9 Å²	143.9	81%	0.814	80%	0.796	S	S	*	*			trans	-83.5	112.9	160.4	0	0	0	0	0	109	H481	H481-G483 PolarHBondContact O-N 3.13Å
484	V	31	Very low	33.3	Very low	128 Å²	128	145.3 Å²	145.3	78%	0.776	80%	0.797	S	S	*	*			trans	-118.6	136.8	162	-179.2	0	0	0	0	107.9
485	S	30.8	Very low	33.4	Very low	107 Å²	107	146.3 Å²	146.3	75%	0.748	80%	0.8	S	S	*	*			trans	-58.7	150.6	-173.7	41.3	0	0	0	0	116.3
486	Q	33.6	Very low	33.1	Very low	185 Å²	185	151.5 Å²	151.5	86%	0.864	81%	0.811	S	S	*	*			trans	-5.3	128.8	157.4	-84.2	172.9	-39.7	0	0	118.5
487	E	26.9	Very low	32.9	Very low	175 Å²	175	153.1 Å²	153.1	82%	0.818	81%	0.812	S	S	*	*				177.3	133.8	109.1	-95.8	179.2	168.5	0	0	114.2
488	Q	27.6	Very low	32.8	Very low	169 Å²	169	154.2 Å²	154.2	79%	0.79	82%	0.821	S	S	*	*			trans	28.3	116.6	146.5	-58	-177.9	15.6	0	0	123.8
489	R	26.1	Very low	32.9	Very low	240 Å²	240	147.6 Å²	147.6	91%	0.906	81%	0.813	S	S	*	*				71.6	163.2	128	-97.7	-172.7	-163.1	-177.6	5.9	120
490	P	47.8	Very low	33.3	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	81%	0.814	S	S	*	*				-114.7	179.4	-115.9	31.6	-11.3	0	0	0	114.8
491	D	27.1	Very low	33.7	Very low	130 Å²	130	151.2 Å²	151.2	70%	0.695	81%	0.811	S	S	*	*			trans	116.8	143.8	154.3	-148	4.3	0	0	0	117.4
492	H	30.2	Very low	34.6	Very low	168 Å²	168	146.8 Å²	146.8	78%	0.778	80%	0.8	S	S	*	*			trans	79.9	113.9	166.5	-60.2	-24.8	0	0	0	119.4
493	G	31.6	Very low	35.4	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	77%	0.774	S	S	*	*			trans	-83.1	167.8	-178.4	0	0	0	0	0	115.2
494	H	29	Very low	36.9	Very low	196 Å²	196	147.8 Å²	147.8	91%	0.907	78%	0.776	S	S	*	*			trans	-168.7	135.5	134.4	-111.8	-71.9	0	0	0	108.8
495	M	42.5	Very low	38.6	Very low	182 Å²	182	144.8 Å²	144.8	90%	0.897	76%	0.76	S	S	*	*			trans	-47.1	140.2	172.6	-76.4	-179.1	155.5	0	0	113.2
496	K	31.3	Very low	40.7	Very low	202 Å²	202	139.7 Å²	139.7	88%	0.878	73%	0.725	S	S	*	*			trans	-157.1	118.3	132.5	-112.8	175.4	-175.4	-178.7	0	111
497	D	37.2	Very low	43	Very low	161 Å²	161	134.3 Å²	134.3	86%	0.861	70%	0.699	S	S	*	*			trans	-49.2	133	161.1	-82.4	-44.9	0	0	0	111.6
498	S	33.6	Very low	45.3	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	67%	0.672	S	S	*	*			trans	-153.5	75.8	152.7	51.3	0	0	0	0	110.2	S500	S498-S500 PolarHBondContact O-N 3.37Å; S498-S500 VanDerWaalsContact O-N 3.12Å
499	S	41.5	Very low	47.4	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	68%	0.679	S	S	*	*			trans	-59.3	106.6	163.3	55.7	0	0	0	0	110.5
500	S	40.7	Very low	49.5	Very low	111 Å²	111	120.6 Å²	120.6	78%	0.776	68%	0.68	S	S	*	*			trans	-119.3	81.2	159	51.1	0	0	0	0	107.8	S498 P502	S498-S500 PolarHBondContact O-N 3.37Å; S498-S500 VanDerWaalsContact O-N 3.12Å; S500-P502 WeakPolarHBondContact O-CD 3.4Å
501	E	45.4	Very low	50.7	Low	147 Å²	147	116.9 Å²	116.9	69%	0.687	66%	0.657	S	S	*	*			trans	-66.6	125.2	176.8	-75.3	-138	156	0	0	110.5	N503	E501-N503 PolarHBondContact O-N 2.89Å
502	P	50.8	Low	53	Low	105 Å²	105	117.7 Å²	117.7	68%	0.682	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	4.8	177.3	27.5	-33	0	0	0	113.8	S500	S500-P502 WeakPolarHBondContact O-CD 3.4Å
503	N	51.5	Low	55.3	Low	62 Å²	62	113.3 Å²	113.3	33%	0.332	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.9	-0.9	-169.1	-135	6.6	0	0	0	114.2	E501 N514	E501-N503 PolarHBondContact O-N 2.89Å; N503-N514 PolarHBondContact ND2-ND2 2.91Å; N503-N514 PolarHBondContact OD1-ND2 3.28Å
504	R	58.4	Low	57.7	Low	225 Å²	225	111.8 Å²	111.8	85%	0.849	62%	0.621	S	S	*	*	S	Bend	trans	-83.1	-22.9	-175.8	-147	174.7	178.1	178.1	-1.1	113.3	C506	R504-C506 VanDerWaalsContact C-N 3.35Å
505	S	67.9	Low	60	Low	65 Å²	65	102.5 Å²	102.5	46%	0.455	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-5.9	-177.9	63	0	0	0	0	114.7	G524	S505-G524 WeakPolarHBondContact OG-CA 3.41Å; S505-G524 PolarHBondContact OG-O 2.94Å
506	C	74.9	Confident	62	Low	0 Å²	0	96 Å²	96	0%	0	55%	0.55	C	S	.	*	T	Hydrogen-bonded Turn	trans	-102.8	11.8	179.5	-70.2	0	0	0	0	113.6	R504 C515 C521 K525	R504-C506 VanDerWaalsContact C-N 3.35Å; C506-C515 PolarHBondContact O-N 3.45Å; C506-C521 HydrophobicContact CB-CB 3.52Å; C506-C521 WeakPolarHBondContact CB-SG 3.34Å; C506-C521 WeakPolarHBondContact SG-CB 3.34Å; C506-C521 CovalentContact SG-SG 2.03Å; C506-C521 PolarHBondContact SG-SG 3.46Å; C506-K525 VanDerWaalsContact SG-C 3.55Å; C506-K525 PolarHBondContact SG-N 2.03Å
507	K	80.8	Confident	64.4	Low	73 Å²	73	88.9 Å²	88.9	32%	0.317	54%	0.535	S	S	.	.	S	Bend	trans	-112.4	134.3	179.3	-64.1	-173.1	-178.7	-169.7	0	109.9	N512 N514	K507-N512 PolarHBondContact NZ-O 3.15Å; K507-N514 WeakPolarHBondContact CE-OD1 3.48Å; K507-N514 WeakPolarHBondContact CG-OD1 3.44Å
508	A	76.1	Confident	66.5	Low	32 Å²	32	84.5 Å²	84.5	26%	0.264	51%	0.506	S	S	.	.			trans	-69.6	152.3	168	0	0	0	0	0	110.7	G510 S511 Y540	A508-G510 PolarHBondContact O-N 3.2Å; A508-S511 WeakPolarHBondContact O-CB 3.4Å; A508-S511 PolarHBondContact O-N 2.76Å; A508-Y540 HydrophobicContact CB-CD2 3.7Å; A508-Y540 HydrophobicContact CB-CE2 4.02Å; A508-Y540 HydrophobicContact CB-CG 4.21Å
509	D	72	Confident	68.7	Low	174 Å²	174	80.3 Å²	80.3	93%	0.93	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	122.6	178.2	-78.5	-28	0	0	0	110.9	S511	D509-S511 VanDerWaalsContact C-N 3.33Å
510	G	68.3	Low	70.5	Confident	90 Å²	90	79.3 Å²	79.3	93%	0.928	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-2.8	-176.5	0	0	0	0	0	115.4	A508	A508-G510 PolarHBondContact O-N 3.2Å
511	S	73.7	Confident	72.2	Confident	39 Å²	39	75.4 Å²	75.4	27%	0.273	44%	0.442	S	S	.	.			trans	-94.6	135.4	174.4	-179.9	0	0	0	0	111.9	A508 D509 V513	A508-S511 WeakPolarHBondContact O-CB 3.4Å; A508-S511 PolarHBondContact O-N 2.76Å; D509-S511 VanDerWaalsContact C-N 3.33Å; S511-V513 PolarHBondContact OG-N 3.48Å; S511-V513 VanDerWaalsContact OG-N 3.16Å; S511-V513 PolarHBondContact OG-O 3.07Å
512	N	75	Confident	73.4	Confident	147 Å²	147	74 Å²	74	79%	0.786	44%	0.435	S	S	*	.			trans	-89.1	-6	172.3	-76.8	-24.4	0	0	0	113.3	K507	K507-N512 PolarHBondContact NZ-O 3.15Å
513	V	79.3	Confident	74.3	Confident	77 Å²	77	74.3 Å²	74.3	47%	0.467	44%	0.438	S	S	.	.	S	Bend	trans	-106.2	130.1	-172.5	-170.2	0	0	0	0	110.2	S511	S511-V513 PolarHBondContact OG-N 3.48Å; S511-V513 VanDerWaalsContact OG-N 3.16Å; S511-V513 PolarHBondContact OG-O 3.07Å
514	N	81.6	Confident	75	Confident	39 Å²	39	72.2 Å²	72.2	21%	0.209	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-67.3	137.3	173.6	-73.9	-3.2	0	0	0	110.6	N503 K507 S516 G517	N503-N514 PolarHBondContact ND2-ND2 2.91Å; N503-N514 PolarHBondContact OD1-ND2 3.28Å; K507-N514 WeakPolarHBondContact CE-OD1 3.48Å; K507-N514 WeakPolarHBondContact CG-OD1 3.44Å; N514-S516 PolarHBondContact O-N 3.09Å; N514-G517 PolarHBondContact O-N 2.98Å
515	C	78.5	Confident	75.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	50.6	37.1	172.1	-50.1	0	0	0	0	113.2	C506 G517 R518 C526 Y540	C506-C515 PolarHBondContact O-N 3.45Å; C515-G517 PolarHBondContact O-N 2.84Å; C515-R518 PolarHBondContact O-N 3.47Å; C515-C526 WeakPolarHBondContact CA-SG 3.23Å; C515-C526 HydrophobicContact CB-CB 3.6Å; C515-C526 WeakPolarHBondContact CB-SG 3.43Å; C515-C526 WeakPolarHBondContact SG-CA 3.49Å; C515-C526 WeakPolarHBondContact SG-CB 3.41Å; C515-C526 CovalentContact SG-SG 2.03Å; C515-C526 PolarHBondContact SG-SG 3.34Å; C515-Y540 CarbonylContact C-O 3.59Å; C515-Y540 WeakPolarHBondContact CA-O 3.35Å; C515-Y540 VanDerWaalsContact O-O 3.13Å
516	S	83.4	Confident	75.9	Confident	45 Å²	45	66.4 Å²	66.4	32%	0.315	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	52.1	19.8	-178.8	-50.4	0	0	0	0	114.4	N514 R518 Y540	N514-S516 PolarHBondContact O-N 3.09Å; S516-R518 PolarHBondContact O-N 2.83Å; S516-Y540 VanDerWaalsContact CB-O 3.25Å; S516-Y540 WeakPolarHBondContact CB-O 3.33Å; S516-Y540 PolarHBondContact N-O 2.92Å; S516-Y540 VanDerWaalsContact N-O 3.11Å; S516-Y540 PolarHBondContact OG-O 3.18Å
517	G	82.1	Confident	76	Confident	54 Å²	54	70.1 Å²	70.1	56%	0.557	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	71.5	9.9	-175.6	0	0	0	0	0	114.7	N514 C515	N514-G517 PolarHBondContact O-N 2.98Å; C515-G517 PolarHBondContact O-N 2.84Å
518	R	82.1	Confident	75.8	Confident	68 Å²	68	68.3 Å²	68.3	26%	0.257	43%	0.425	S	S	.	.	S	Bend	trans	-120.3	25.4	-175.7	-58	176.5	69	176.6	10.7	112.5	C515 S516 E529 V536 C541 D544	C515-R518 PolarHBondContact O-N 3.47Å; S516-R518 PolarHBondContact O-N 2.83Å; R518-E529 PolarHBondContact O-N 2.83Å; R518-V536 HydrophobicContact CB-CG1 4Å; R518-V536 VanDerWaalsContact NH2-CG2 3.29Å; R518-C541 HydrophobicContact CB-CB 4.24Å; R518-D544 IonicContact CZ-OD2 3.21Å; R518-D544 IonicContact NH1-OD2 3.41Å; R518-D544 PolarHBondContact NH1-OD2 3.08Å; R518-D544 IonicContact NH2-OD2 2.84Å; R518-D544 PolarHBondContact NH2-OD2 2.89Å
519	G	79.1	Confident	75.7	Confident	20 Å²	20	73.3 Å²	73.3	21%	0.206	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	171.9	-178.4	0	0	0	0	0	112.4	V527	G519-V527 CarbonylContact C-O 3.55Å; G519-V527 WeakPolarHBondContact CA-O 3.01Å
520	V	78.2	Confident	75.4	Confident	93 Å²	93	74.2 Å²	74.2	56%	0.564	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.7	178.4	-174.9	0	0	0	0	109.1	E522 V527	V520-E522 HydrophobicContact CG1-CG 4.22Å; V520-E522 PolarHBondContact O-N 2.92Å; V520-V527 PolarHBondContact N-O 2.92Å; V520-V527 PolarHBondContact O-N 2.67Å
521	C	77.2	Confident	75.3	Confident	29 Å²	29	72 Å²	72	20%	0.196	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	111	174.4	179.1	0	0	0	0	109.5	C506 K525	C506-C521 HydrophobicContact CB-CB 3.52Å; C506-C521 WeakPolarHBondContact CB-SG 3.34Å; C506-C521 WeakPolarHBondContact SG-CB 3.34Å; C506-C521 CovalentContact SG-SG 2.03Å; C506-C521 PolarHBondContact SG-SG 3.46Å; C521-K525 CarbonylContact C-O 3.56Å; C521-K525 WeakPolarHBondContact CA-O 3.31Å
522	E	70	Confident	75.2	Confident	117 Å²	117	82.4 Å²	82.4	55%	0.547	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.5	176.6	-65.9	-169.2	169.9	0	0	109.5	V520 G524 K525 V527	V520-E522 HydrophobicContact CG1-CG 4.22Å; V520-E522 PolarHBondContact O-N 2.92Å; E522-G524 PolarHBondContact O-N 2.93Å; E522-G524 VanDerWaalsContact O-N 3.1Å; E522-K525 PolarHBondContact N-O 3.36Å; E522-K525 PolarHBondContact O-N 3.32Å; E522-K525 VanDerWaalsContact O-O 3.08Å; E522-V527 HydrophobicContact CB-CG2 4.19Å; E522-V527 HydrophobicContact CG-CG2 4.33Å
523	C	69.8	Low	74.4	Confident	112 Å²	112	82 Å²	82	76%	0.757	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.2	178.4	-61.9	0	0	0	0	114.1	K525	C523-K525 VanDerWaalsContact C-N 3.32Å; C523-K525 PolarHBondContact O-N 2.89Å
524	G	66.3	Low	73.7	Confident	17 Å²	17	79.4 Å²	79.4	18%	0.175	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	10.6	178.6	0	0	0	0	0	115.1	S505 E522	S505-G524 WeakPolarHBondContact OG-CA 3.41Å; S505-G524 PolarHBondContact OG-O 2.94Å; E522-G524 PolarHBondContact O-N 2.93Å; E522-G524 VanDerWaalsContact O-N 3.1Å
525	K	69.3	Low	72.6	Confident	147 Å²	147	81.4 Å²	81.4	64%	0.639	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	155	171.2	-66.2	-177	-179.3	-179.8	0	110.9	C506 C521 E522 C523	C506-K525 VanDerWaalsContact SG-C 3.55Å; C506-K525 PolarHBondContact SG-N 2.03Å; C521-K525 CarbonylContact C-O 3.56Å; C521-K525 WeakPolarHBondContact CA-O 3.31Å; E522-K525 PolarHBondContact N-O 3.36Å; E522-K525 PolarHBondContact O-N 3.32Å; E522-K525 VanDerWaalsContact O-O 3.08Å; C523-K525 VanDerWaalsContact C-N 3.32Å; C523-K525 PolarHBondContact O-N 2.89Å
526	C	75.6	Confident	71.9	Confident	22 Å²	22	82 Å²	82	15%	0.149	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129	176.8	-71.3	0	0	0	0	111.9	C515	C515-C526 WeakPolarHBondContact CA-SG 3.23Å; C515-C526 HydrophobicContact CB-CB 3.6Å; C515-C526 WeakPolarHBondContact CB-SG 3.43Å; C515-C526 WeakPolarHBondContact SG-CA 3.49Å; C515-C526 WeakPolarHBondContact SG-CB 3.41Å; C515-C526 CovalentContact SG-SG 2.03Å; C515-C526 PolarHBondContact SG-SG 3.34Å
527	V	77.5	Confident	70.8	Confident	77 Å²	77	82.4 Å²	82.4	47%	0.467	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	110.8	169.7	-178	0	0	0	0	107.4	G519 V520 E522	G519-V527 CarbonylContact C-O 3.55Å; G519-V527 WeakPolarHBondContact CA-O 3.01Å; V520-V527 PolarHBondContact N-O 2.92Å; V520-V527 PolarHBondContact O-N 2.67Å; E522-V527 HydrophobicContact CB-CG2 4.19Å; E522-V527 HydrophobicContact CG-CG2 4.33Å
528	C	77.6	Confident	69.8	Low	35 Å²	35	81 Å²	81	24%	0.236	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	141.1	-173.5	-50.9	0	0	0	0	111.9	V536 C541	C528-V536 HydrophobicContact CB-CB 4.22Å; C528-V536 HydrophobicContact CB-CG1 4.19Å; C528-V536 VanDerWaalsContact CB-O 3.29Å; C528-V536 WeakPolarHBondContact CB-O 3.19Å; C528-C541 WeakPolarHBondContact CA-SG 3.43Å; C528-C541 HydrophobicContact CB-CB 3.79Å; C528-C541 WeakPolarHBondContact CB-SG 3.46Å; C528-C541 PolarHBondContact N-SG 3.35Å; C528-C541 VanDerWaalsContact N-SG 3.45Å; C528-C541 WeakPolarHBondContact SG-CA 3.42Å; C528-C541 WeakPolarHBondContact SG-CB 3.45Å; C528-C541 CovalentContact SG-SG 2.04Å; C528-C541 PolarHBondContact SG-SG 3.35Å
529	E	72.8	Confident	69.2	Low	137 Å²	137	82.4 Å²	82.4	64%	0.64	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-74.6	140.9	-178.2	-167.8	170.5	-153	0	0	110.9	R518 S531	R518-E529 PolarHBondContact O-N 2.83Å; E529-S531 PolarHBondContact O-N 3.07Å
530	Q	66.7	Low	69.2	Low	194 Å²	194	83.9 Å²	83.9	91%	0.907	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-75	118.9	176.3	-72.8	-179.2	-10.2	0	0	110.1
531	S	66.1	Low	69	Low	44 Å²	44	79.4 Å²	79.4	31%	0.308	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-94.6	146.5	175.8	173.8	0	0	0	0	110.8	E529 L533 G534	E529-S531 PolarHBondContact O-N 3.07Å; S531-L533 PolarHBondContact O-N 3.04Å; S531-L533 PolarHBondContact OG-N 2.7Å; S531-L533 VanDerWaalsContact OG-N 3.09Å; S531-G534 WeakPolarHBondContact CB-O 2.93Å; S531-G534 VanDerWaalsContact O-O 3.14Å
532	R	70.3	Confident	68.8	Low	257 Å²	257	82.3 Å²	82.3	97%	0.97	42%	0.42	S	S	*	.	S	Bend	trans	-73	-13.9	171	-66.2	-174.8	-179.4	-179.1	0.5	113
533	L	59.6	Low	68.6	Low	138 Å²	138	79.1 Å²	79.1	72%	0.723	41%	0.406	S	S	*	.	S	Bend	trans	-92.5	-16.8	-177.3	-61	172.3	0	0	0	112.9	S531 F546	S531-L533 PolarHBondContact O-N 3.04Å; S531-L533 PolarHBondContact OG-N 2.7Å; S531-L533 VanDerWaalsContact OG-N 3.09Å; L533-F546 HydrophobicContact CB-CD1 4.23Å; L533-F546 HydrophobicContact CB-CD2 4.01Å; L533-F546 HydrophobicContact CB-CE1 4.36Å; L533-F546 HydrophobicContact CB-CE2 4.17Å; L533-F546 HydrophobicContact CB-CG 4.02Å; L533-F546 HydrophobicContact CB-CZ 4.3Å; L533-F546 HydrophobicContact CD1-CE2 4.39Å
534	G	64.2	Low	68.6	Low	23 Å²	23	74.4 Å²	74.4	24%	0.237	37%	0.373	C	S	.	.	S	Bend	trans	154.3	-161.2	-179.7	0	0	0	0	0	111.9	S531 D545 F546	S531-G534 WeakPolarHBondContact CB-O 2.93Å; S531-G534 VanDerWaalsContact O-O 3.14Å; G534-D545 VanDerWaalsContact CA-OD1 3.31Å; G534-D545 WeakPolarHBondContact CA-OD1 2.98Å; G534-F546 VanDerWaalsContact CA-CD1 3.49Å
535	V	59.3	Low	68.3	Low	80 Å²	80	74.8 Å²	74.8	49%	0.485	37%	0.371	S	S	.	.			trans	-97.2	128.6	-173.1	-175	0	0	0	0	110.8	Y537 D544 D545	V535-Y537 HydrophobicContact CG1-CD1 4.42Å; V535-D544 VanDerWaalsContact O-CA 3.26Å; V535-D544 WeakPolarHBondContact O-CA 3.26Å; V535-D544 WeakPolarHBondContact O-CB 3.3Å; V535-D545 PolarHBondContact N-OD1 3.08Å; V535-D545 PolarHBondContact N-OD2 3.31Å; V535-D545 PolarHBondContact O-N 3.29Å
536	V	62	Low	68.3	Low	14 Å²	14	69.2 Å²	69.2	9%	0.085	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.2	170	-173.4	0	0	0	0	108.8	R518 C528 C541 M543 D544 F546	R518-V536 HydrophobicContact CB-CG1 4Å; R518-V536 VanDerWaalsContact NH2-CG2 3.29Å; C528-V536 HydrophobicContact CB-CB 4.22Å; C528-V536 HydrophobicContact CB-CG1 4.19Å; C528-V536 VanDerWaalsContact CB-O 3.29Å; C528-V536 WeakPolarHBondContact CB-O 3.19Å; V536-C541 HydrophobicContact CG1-CB 4.07Å; V536-M543 WeakPolarHBondContact CA-O 3.46Å; V536-M543 WeakPolarHBondContact CG1-O 3.4Å; V536-D544 HydrophobicContact CG2-CB 4.48Å; V536-F546 HydrophobicContact CG2-CE1 4.09Å; V536-F546 HydrophobicContact CG2-CZ 4.17Å
537	Y	61.8	Low	68	Low	53 Å²	53	72 Å²	72	21%	0.208	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	177.5	-174.5	62.3	-86.7	0	0	0	112	V535 C541 E542 M543 D545 T565	V535-Y537 HydrophobicContact CG1-CD1 4.42Å; Y537-C541 CarbonylContact O-C 3.16Å; Y537-E542 PolarHBondContact O-N 3.09Å; Y537-M543 HydrophobicContact CD1-CB 4.48Å; Y537-M543 HydrophobicContact CD2-CB 3.83Å; Y537-M543 HydrophobicContact CD2-CE 3.74Å; Y537-M543 HydrophobicContact CD2-SD 4.33Å; Y537-M543 HydrophobicContact CE1-CB 4.35Å; Y537-M543 HydrophobicContact CE2-CB 3.64Å; Y537-M543 HydrophobicContact CE2-CE 3.82Å; Y537-M543 HydrophobicContact CE2-CG 4.35Å; Y537-M543 HydrophobicContact CE2-SD 3.84Å; Y537-M543 HydrophobicContact CG-CB 4.25Å; Y537-M543 PolarHBondContact N-O 3.39Å; Y537-M543 WeakPolarHBondContact O-CA 3.12Å; Y537-M543 WeakPolarHBondContact O-CB 3.19Å; Y537-M543 PolarHBondContact O-N 3.46Å; Y537-M543 VanDerWaalsContact O-O 3.08Å; Y537-D545 HydrophobicContact CE1-CB 4.38Å; Y537-T565 HydrophobicContact CE1-CG2 4.4Å; Y537-T565 WeakPolarHBondContact OH-CB 3.35Å; Y537-T565 WeakPolarHBondContact OH-CG2 3.44Å; Y537-T565 PolarHBondContact OH-OG1 3.34Å
538	G	60.4	Low	67.6	Low	25 Å²	25	70 Å²	70	26%	0.258	36%	0.356	S	S	.	.	S	Bend	trans	110.7	163.1	-175.9	0	0	0	0	0	113	Y540 C541 E542 M543	G538-Y540 PolarHBondContact O-N 3.15Å; G538-C541 PolarHBondContact O-N 2.79Å; G538-C541 VanDerWaalsContact O-N 3.15Å; G538-E542 VanDerWaalsContact C-OE2 3.29Å; G538-M543 VanDerWaalsContact CA-CE 3.44Å
539	K	68.9	Low	67.1	Low	97 Å²	97	71.5 Å²	71.5	42%	0.422	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32.4	-172.5	178.5	171.2	177.6	166.2	0	112	E65 E542	E65-K539 IonicContact OE1-NZ 2.74Å; E65-K539 PolarHBondContact OE1-NZ 3.04Å; K539-E542 PolarHBondContact N-OE1 2.96Å; K539-E542 PolarHBondContact N-OE2 3.28Å
540	Y	78.9	Confident	66.8	Low	50 Å²	50	71.7 Å²	71.7	20%	0.196	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	27	177.9	-48.7	-66.8	0	0	0	110.9	A508 C515 S516 G538 E542	A508-Y540 HydrophobicContact CB-CD2 3.7Å; A508-Y540 HydrophobicContact CB-CE2 4.02Å; A508-Y540 HydrophobicContact CB-CG 4.21Å; C515-Y540 CarbonylContact C-O 3.59Å; C515-Y540 WeakPolarHBondContact CA-O 3.35Å; C515-Y540 VanDerWaalsContact O-O 3.13Å; S516-Y540 VanDerWaalsContact CB-O 3.25Å; S516-Y540 WeakPolarHBondContact CB-O 3.33Å; S516-Y540 PolarHBondContact N-O 2.92Å; S516-Y540 VanDerWaalsContact N-O 3.11Å; S516-Y540 PolarHBondContact OG-O 3.18Å; G538-Y540 PolarHBondContact O-N 3.15Å; Y540-E542 VanDerWaalsContact CA-OE2 3.27Å; Y540-E542 WeakPolarHBondContact CA-OE2 3.45Å; Y540-E542 PolarHBondContact N-OE2 3.3Å; Y540-E542 PolarHBondContact O-N 2.64Å
541	C	75.3	Confident	66.8	Low	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	54.5	36.8	-178	-51.8	0	0	0	0	114.3	R518 C528 V536 Y537 G538	R518-C541 HydrophobicContact CB-CB 4.24Å; C528-C541 WeakPolarHBondContact CA-SG 3.43Å; C528-C541 HydrophobicContact CB-CB 3.79Å; C528-C541 WeakPolarHBondContact CB-SG 3.46Å; C528-C541 PolarHBondContact N-SG 3.35Å; C528-C541 VanDerWaalsContact N-SG 3.45Å; C528-C541 WeakPolarHBondContact SG-CA 3.42Å; C528-C541 WeakPolarHBondContact SG-CB 3.45Å; C528-C541 CovalentContact SG-SG 2.04Å; C528-C541 PolarHBondContact SG-SG 3.35Å; V536-C541 HydrophobicContact CG1-CB 4.07Å; Y537-C541 CarbonylContact O-C 3.16Å; G538-C541 PolarHBondContact O-N 2.79Å; G538-C541 VanDerWaalsContact O-N 3.15Å
542	E	73.3	Confident	67	Low	89 Å²	89	73.5 Å²	73.5	42%	0.416	36%	0.362	S	S	.	.			trans	-88	-11.1	-174.3	71.7	-74.4	-179.7	0	0	114.2	Y537 G538 K539 Y540	Y537-E542 PolarHBondContact O-N 3.09Å; G538-E542 VanDerWaalsContact C-OE2 3.29Å; K539-E542 PolarHBondContact N-OE1 2.96Å; K539-E542 PolarHBondContact N-OE2 3.28Å; Y540-E542 VanDerWaalsContact CA-OE2 3.27Å; Y540-E542 WeakPolarHBondContact CA-OE2 3.45Å; Y540-E542 PolarHBondContact N-OE2 3.3Å; Y540-E542 PolarHBondContact O-N 2.64Å
543	M	66.1	Low	66.8	Low	50 Å²	50	64.5 Å²	64.5	25%	0.246	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	155.5	-176.6	-62.7	-177.6	-77.4	0	0	112.1	V536 Y537 G538 T565	V536-M543 WeakPolarHBondContact CA-O 3.46Å; V536-M543 WeakPolarHBondContact CG1-O 3.4Å; Y537-M543 HydrophobicContact CD1-CB 4.48Å; Y537-M543 HydrophobicContact CD2-CB 3.83Å; Y537-M543 HydrophobicContact CD2-CE 3.74Å; Y537-M543 HydrophobicContact CD2-SD 4.33Å; Y537-M543 HydrophobicContact CE1-CB 4.35Å; Y537-M543 HydrophobicContact CE2-CB 3.64Å; Y537-M543 HydrophobicContact CE2-CE 3.82Å; Y537-M543 HydrophobicContact CE2-CG 4.35Å; Y537-M543 HydrophobicContact CE2-SD 3.84Å; Y537-M543 HydrophobicContact CG-CB 4.25Å; Y537-M543 PolarHBondContact N-O 3.39Å; Y537-M543 WeakPolarHBondContact O-CA 3.12Å; Y537-M543 WeakPolarHBondContact O-CB 3.19Å; Y537-M543 PolarHBondContact O-N 3.46Å; Y537-M543 VanDerWaalsContact O-O 3.08Å; G538-M543 VanDerWaalsContact CA-CE 3.44Å; M543-T565 HydrophobicContact CB-CG2 4.26Å; M543-T565 PolarHBondContact SD-OG1 2.92Å
544	D	67.9	Low	67.1	Low	13 Å²	13	63.4 Å²	63.4	7%	0.07	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	162.6	168.6	63.5	65.2	0	0	0	112.3	R518 V535 V536 F546 S547 T565	R518-D544 IonicContact CZ-OD2 3.21Å; R518-D544 IonicContact NH1-OD2 3.41Å; R518-D544 PolarHBondContact NH1-OD2 3.08Å; R518-D544 IonicContact NH2-OD2 2.84Å; R518-D544 PolarHBondContact NH2-OD2 2.89Å; V535-D544 VanDerWaalsContact O-CA 3.26Å; V535-D544 WeakPolarHBondContact O-CA 3.26Å; V535-D544 WeakPolarHBondContact O-CB 3.3Å; V536-D544 HydrophobicContact CG2-CB 4.48Å; D544-F546 HydrophobicContact CB-CD1 3.84Å; D544-F546 HydrophobicContact CB-CE1 3.59Å; D544-F546 HydrophobicContact CB-CE2 4.3Å; D544-F546 HydrophobicContact CB-CG 4.35Å; D544-F546 HydrophobicContact CB-CZ 3.86Å; D544-F546 PolarHBondContact OD1-N 3.21Å; D544-F546 VanDerWaalsContact OD1-N 3.09Å; D544-S547 WeakPolarHBondContact OD1-CA 3.46Å; D544-S547 WeakPolarHBondContact OD1-CB 3.4Å; D544-S547 PolarHBondContact OD1-N 2.72Å; D544-S547 PolarHBondContact OD1-OG 3.33Å; D544-S547 PolarHBondContact OD2-OG 3.33Å; D544-T565 WeakPolarHBondContact O-CG2 3.44Å
545	D	60.7	Low	67.1	Low	26 Å²	26	64.7 Å²	64.7	14%	0.139	34%	0.341	C	S	.	.	S	Bend	trans	-93.4	13.8	-178.9	65.1	-4.9	0	0	0	114.3	G534 V535 Y537 L555 K562	G534-D545 VanDerWaalsContact CA-OD1 3.31Å; G534-D545 WeakPolarHBondContact CA-OD1 2.98Å; V535-D545 PolarHBondContact N-OD1 3.08Å; V535-D545 PolarHBondContact N-OD2 3.31Å; V535-D545 PolarHBondContact O-N 3.29Å; Y537-D545 HydrophobicContact CE1-CB 4.38Å; D545-L555 VanDerWaalsContact O-CD2 3.28Å; D545-L555 WeakPolarHBondContact O-CD2 3.21Å; D545-K562 VanDerWaalsContact CB-O 3.3Å; D545-K562 WeakPolarHBondContact CB-O 3.37Å
546	F	69.8	Low	67.4	Low	29 Å²	29	61.3 Å²	61.3	13%	0.127	32%	0.321	C	S	.	.	S	Bend	trans	-131.8	-7.8	-170.6	56.6	-102.4	0	0	0	115.9	L533 G534 V536 D544 Y550	L533-F546 HydrophobicContact CB-CD1 4.23Å; L533-F546 HydrophobicContact CB-CD2 4.01Å; L533-F546 HydrophobicContact CB-CE1 4.36Å; L533-F546 HydrophobicContact CB-CE2 4.17Å; L533-F546 HydrophobicContact CB-CG 4.02Å; L533-F546 HydrophobicContact CB-CZ 4.3Å; L533-F546 HydrophobicContact CD1-CE2 4.39Å; G534-F546 VanDerWaalsContact CA-CD1 3.49Å; V536-F546 HydrophobicContact CG2-CE1 4.09Å; V536-F546 HydrophobicContact CG2-CZ 4.17Å; D544-F546 HydrophobicContact CB-CD1 3.84Å; D544-F546 HydrophobicContact CB-CE1 3.59Å; D544-F546 HydrophobicContact CB-CE2 4.3Å; D544-F546 HydrophobicContact CB-CG 4.35Å; D544-F546 HydrophobicContact CB-CZ 3.86Å; D544-F546 PolarHBondContact OD1-N 3.21Å; D544-F546 VanDerWaalsContact OD1-N 3.09Å; F546-Y550 PolarHBondContact O-OH 3.45Å; F546-Y550 VanDerWaalsContact O-OH 3.1Å
547	S	69.9	Low	67.6	Low	82 Å²	82	61.5 Å²	61.5	57%	0.573	33%	0.326	S	S	*	.			trans	-93.7	5.4	-177.7	-58.8	0	0	0	0	114.6	D544	D544-S547 WeakPolarHBondContact OD1-CA 3.46Å; D544-S547 WeakPolarHBondContact OD1-CB 3.4Å; D544-S547 PolarHBondContact OD1-N 2.72Å; D544-S547 PolarHBondContact OD1-OG 3.33Å; D544-S547 PolarHBondContact OD2-OG 3.33Å
548	C	68	Low	67.7	Low	34 Å²	34	61.5 Å²	61.5	23%	0.23	34%	0.342	C	S	.	.	S	Bend	trans	-69.6	156.3	174.2	-62.9	0	0	0	0	112.2	Y550 L555	C548-Y550 VanDerWaalsContact O-CD2 3.28Å; C548-Y550 WeakPolarHBondContact O-CD2 3.38Å; C548-Y550 WeakPolarHBondContact O-CE2 3.38Å; C548-L555 HydrophobicContact CB-CD1 3.81Å; C548-L555 HydrophobicContact CB-CD2 4.26Å; C548-L555 HydrophobicContact CB-CG 3.89Å; C548-L555 WeakPolarHBondContact O-CD1 3.4Å
549	P	66.3	Low	67.9	Low	66 Å²	66	62.9 Å²	62.9	43%	0.429	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-59	141.3	177.8	-24.4	35.4	0	0	0	112.8	C556	P549-C556 PolarHBondContact O-N 2.82Å
550	Y	68.3	Low	67.2	Low	142 Å²	142	60.5 Å²	60.5	56%	0.557	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.2	178.3	-72	-105.3	0	0	0	110.5	F546 C548 Q554 L555	F546-Y550 PolarHBondContact O-OH 3.45Å; F546-Y550 VanDerWaalsContact O-OH 3.1Å; C548-Y550 VanDerWaalsContact O-CD2 3.28Å; C548-Y550 WeakPolarHBondContact O-CD2 3.38Å; C548-Y550 WeakPolarHBondContact O-CE2 3.38Å; Y550-Q554 WeakPolarHBondContact CA-O 3.44Å; Y550-L555 HydrophobicContact CD1-CB 4.45Å; Y550-L555 HydrophobicContact CD2-CD1 4.2Å; Y550-L555 HydrophobicContact CE1-CB 4.11Å; Y550-L555 HydrophobicContact CE1-CD1 4Å; Y550-L555 HydrophobicContact CE2-CD1 3.52Å; Y550-L555 VanDerWaalsContact CZ-CD1 3.4Å; Y550-L555 WeakPolarHBondContact OH-CD1 3.43Å
551	E	66	Low	65.8	Low	69 Å²	69	66.8 Å²	66.8	32%	0.322	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.6	170.9	-168.4	172.5	-162.3	0	0	109.3	G553 Q554 S579	E551-G553 PolarHBondContact O-N 3.48Å; E551-G553 VanDerWaalsContact O-N 3.1Å; E551-Q554 PolarHBondContact N-O 3.37Å; E551-Q554 PolarHBondContact O-N 3.12Å; E551-S579 WeakPolarHBondContact OE2-CA 3.4Å; E551-S579 WeakPolarHBondContact OE2-CB 3.05Å
552	K	69.6	Low	64.5	Low	207 Å²	207	74.7 Å²	74.7	90%	0.9	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	34.2	-175.1	-62.1	178	-176.9	172.1	0	114.1	Q554	K552-Q554 VanDerWaalsContact C-N 3.33Å
553	G	66	Low	63.1	Low	68 Å²	68	77.5 Å²	77.5	70%	0.701	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	6.9	178.9	0	0	0	0	0	114.9	E551	E551-G553 PolarHBondContact O-N 3.48Å; E551-G553 VanDerWaalsContact O-N 3.1Å
554	Q	66.3	Low	62.1	Low	114 Å²	114	77.8 Å²	77.8	53%	0.533	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.2	174.4	-65.8	-174.7	-23.1	0	0	110.8	Y550 E551 K552 C556 G557	Y550-Q554 WeakPolarHBondContact CA-O 3.44Å; E551-Q554 PolarHBondContact N-O 3.37Å; E551-Q554 PolarHBondContact O-N 3.12Å; K552-Q554 VanDerWaalsContact C-N 3.33Å; Q554-C556 PolarHBondContact O-N 3.44Å; Q554-G557 PolarHBondContact O-N 2.83Å; Q554-G557 VanDerWaalsContact O-N 3.11Å; Q554-G557 PolarHBondContact OE1-O 2.96Å
555	L	65.1	Low	61	Low	50 Å²	50	79.5 Å²	79.5	26%	0.262	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	122.5	174.9	-164.6	89.5	0	0	0	109.2	D545 C548 Y550 G557 G558	D545-L555 VanDerWaalsContact O-CD2 3.28Å; D545-L555 WeakPolarHBondContact O-CD2 3.21Å; C548-L555 HydrophobicContact CB-CD1 3.81Å; C548-L555 HydrophobicContact CB-CD2 4.26Å; C548-L555 HydrophobicContact CB-CG 3.89Å; C548-L555 WeakPolarHBondContact O-CD1 3.4Å; Y550-L555 HydrophobicContact CD1-CB 4.45Å; Y550-L555 HydrophobicContact CD2-CD1 4.2Å; Y550-L555 HydrophobicContact CE1-CB 4.11Å; Y550-L555 HydrophobicContact CE1-CD1 4Å; Y550-L555 HydrophobicContact CE2-CD1 3.52Å; Y550-L555 VanDerWaalsContact CZ-CD1 3.4Å; Y550-L555 WeakPolarHBondContact OH-CD1 3.43Å; L555-G557 PolarHBondContact O-N 2.88Å; L555-G557 VanDerWaalsContact O-N 3.08Å; L555-G558 PolarHBondContact O-N 3.41Å
556	C	65.4	Low	60.1	Low	9 Å²	9	82.2 Å²	82.2	6%	0.061	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	47.2	34.7	-173	-62.5	0	0	0	0	114.3	P549 Q554 G558 K559 V560 C578	P549-C556 PolarHBondContact O-N 2.82Å; Q554-C556 PolarHBondContact O-N 3.44Å; C556-G558 PolarHBondContact O-N 3.01Å; C556-G558 VanDerWaalsContact O-N 3.16Å; C556-K559 PolarHBondContact O-N 3.16Å; C556-V560 HydrophobicContact CB-CB 4.2Å; C556-V560 HydrophobicContact CB-CG2 3.42Å; C556-V560 VanDerWaalsContact CB-CG2 3.42Å; C556-C578 HydrophobicContact CB-CB 4.21Å
557	G	66.1	Low	59.3	Low	19 Å²	19	88.4 Å²	88.4	20%	0.196	48%	0.479	C	S	.	.	G	3₁₀ helix	trans	64.4	18.1	-179.7	0	0	0	0	0	115	Q554 L555	Q554-G557 PolarHBondContact O-N 2.83Å; Q554-G557 VanDerWaalsContact O-N 3.11Å; Q554-G557 PolarHBondContact OE1-O 2.96Å; L555-G557 PolarHBondContact O-N 2.88Å; L555-G557 VanDerWaalsContact O-N 3.08Å
558	G	64.6	Low	58.2	Low	52 Å²	52	89.3 Å²	89.3	54%	0.536	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	80.5	10.1	179.5	0	0	0	0	0	115.2	L555 C556	L555-G558 PolarHBondContact O-N 3.41Å; C556-G558 PolarHBondContact O-N 3.01Å; C556-G558 VanDerWaalsContact O-N 3.16Å
559	K	64.2	Low	57.4	Low	54 Å²	54	88.7 Å²	88.7	24%	0.235	48%	0.482	C	S	.	.			trans	-105.7	19	-172.3	-57.4	177.7	-169.9	159.7	0	114.4	C556 E570 W573	C556-K559 PolarHBondContact O-N 3.16Å; K559-E570 VanDerWaalsContact O-CD 3.29Å; K559-E570 VanDerWaalsContact O-CG 3.3Å; K559-E570 WeakPolarHBondContact O-CG 3.35Å; K559-W573 HydrophobicContact CD-CD2 3.82Å; K559-W573 HydrophobicContact CD-CE3 4.21Å; K559-W573 HydrophobicContact CD-CG 4.22Å; K559-W573 HydrophobicContact CD-CZ2 4.06Å
560	V	53.9	Low	56.8	Low	48 Å²	48	90.8 Å²	90.8	29%	0.291	49%	0.486	S	S	.	.	S	Bend	trans	-129.8	129	179	-173.3	0	0	0	0	108.6	C556	C556-V560 HydrophobicContact CB-CB 4.2Å; C556-V560 HydrophobicContact CB-CG2 3.42Å; C556-V560 VanDerWaalsContact CB-CG2 3.42Å
561	E	49.1	Very low	56.2	Low	181 Å²	181	91.6 Å²	91.6	85%	0.846	51%	0.506	S	S	*	.			trans	-67.3	137.7	171.6	-143.6	173.1	-158.5	0	0	108.9	H563	E561-H563 PolarHBondContact O-N 3.3Å
562	K	47.9	Very low	55.9	Low	166 Å²	166	89.5 Å²	89.5	72%	0.722	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	7.3	-160.5	-86	-174.4	177.2	-179.3	0	118.3	D545	D545-K562 VanDerWaalsContact CB-O 3.3Å; D545-K562 WeakPolarHBondContact CB-O 3.37Å
563	H	43.8	Very low	55.6	Low	148 Å²	148	83.1 Å²	83.1	69%	0.685	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.8	34.5	-172.9	-68.4	-11.9	0	0	0	115.1	E561	E561-H563 PolarHBondContact O-N 3.3Å
564	S	44.5	Very low	55.3	Low	57 Å²	57	83.2 Å²	83.2	40%	0.399	46%	0.46	S	S	.	.			trans	-121.4	107.3	173.2	-168.7	0	0	0	0	112.4	S566	S564-S566 PolarHBondContact OG-O 3.38Å
565	T	45.1	Very low	55	Low	49 Å²	49	79.7 Å²	79.7	30%	0.301	45%	0.454	S	S	.	.			trans	-100.8	17.4	173.9	37.8	0	0	0	0	113.2	Y537 M543 D544	Y537-T565 HydrophobicContact CE1-CG2 4.4Å; Y537-T565 WeakPolarHBondContact OH-CB 3.35Å; Y537-T565 WeakPolarHBondContact OH-CG2 3.44Å; Y537-T565 PolarHBondContact OH-OG1 3.34Å; M543-T565 HydrophobicContact CB-CG2 4.26Å; M543-T565 PolarHBondContact SD-OG1 2.92Å; D544-T565 WeakPolarHBondContact O-CG2 3.44Å
566	S	42.6	Very low	54.8	Low	83 Å²	83	83.4 Å²	83.4	58%	0.58	48%	0.475	S	S	*	.	S	Bend	trans	-134.8	125.7	174.1	-70.6	0	0	0	0	108.9	S564 P568	S564-S566 PolarHBondContact OG-O 3.38Å; S566-P568 WeakPolarHBondContact O-CD 3.44Å
567	F	52.7	Low	54.5	Low	158 Å²	158	84.6 Å²	84.6	69%	0.693	48%	0.483	S	S	*	.	S	Bend	trans	-46.5	106	173.4	-70.1	-83.9	0	0	0	110.1
568	P	46.2	Very low	54.4	Low	101 Å²	101	84.1 Å²	84.1	66%	0.656	48%	0.477	S	S	*	.				-126.3	140.5	92.7	30.3	-17.4	0	0	0	110.6	S566	S566-P568 WeakPolarHBondContact O-CD 3.44Å
569	G	52.7	Low	54.3	Low	22 Å²	22	83 Å²	83	23%	0.227	46%	0.461	C	S	.	.			trans	-56.1	167.4	167.1	0	0	0	0	0	111	V571	G569-V571 PolarHBondContact O-N 3.11Å
570	E	51.9	Low	54.2	Low	109 Å²	109	82 Å²	82	51%	0.509	46%	0.459	S	S	.	.	S	Bend	trans	-45.5	145	164.1	-106.9	-173.3	162.1	0	0	110.2	K559 G572 W573	K559-E570 VanDerWaalsContact O-CD 3.29Å; K559-E570 VanDerWaalsContact O-CG 3.3Å; K559-E570 WeakPolarHBondContact O-CG 3.35Å; E570-G572 PolarHBondContact O-N 3.11Å; E570-W573 PolarHBondContact O-N 3.35Å
571	V	56	Low	54.8	Low	160 Å²	160	80.9 Å²	80.9	97%	0.97	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	103.6	173.4	178.8	0	0	0	0	107.9	G569	G569-V571 PolarHBondContact O-N 3.11Å
572	G	59.5	Low	55.6	Low	24 Å²	24	76 Å²	76	25%	0.247	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	127.5	-9.3	-171.8	0	0	0	0	0	116.9	E570 P581 T582	E570-G572 PolarHBondContact O-N 3.11Å; G572-P581 CarbonylContact O-C 2.8Å; G572-P581 VanDerWaalsContact O-CA 3.23Å; G572-P581 WeakPolarHBondContact O-CA 3.41Å; G572-T582 WeakPolarHBondContact CA-OG1 3.28Å; G572-T582 PolarHBondContact O-N 3.47Å; G572-T582 PolarHBondContact O-OG1 3.49Å
573	W	65.1	Low	56.3	Low	73 Å²	73	70.6 Å²	70.6	28%	0.277	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	145.7	-174.6	-59.2	88.5	0	0	0	114.2	K559 E570 S579 C580 P581	K559-W573 HydrophobicContact CD-CD2 3.82Å; K559-W573 HydrophobicContact CD-CE3 4.21Å; K559-W573 HydrophobicContact CD-CG 4.22Å; K559-W573 HydrophobicContact CD-CZ2 4.06Å; E570-W573 PolarHBondContact O-N 3.35Å; W573-S579 VanDerWaalsContact CZ3-O 3.27Å; W573-S579 WeakPolarHBondContact CZ3-O 3.37Å; W573-C580 CarbonylContact C-O 3.57Å; W573-C580 VanDerWaalsContact CA-O 3.26Å; W573-C580 WeakPolarHBondContact CA-O 3.34Å; W573-C580 VanDerWaalsContact CE3-C 3.41Å; W573-P581 HydrophobicContact CD2-CB 4.26Å; W573-P581 HydrophobicContact CE3-CB 3.87Å; W573-P581 HydrophobicContact CE3-CG 4.44Å; W573-P581 VanDerWaalsContact CE3-N 3.33Å; W573-P581 HydrophobicContact CH2-CB 3.94Å; W573-P581 HydrophobicContact CH2-CG 4.27Å; W573-P581 HydrophobicContact CZ2-CB 4.37Å; W573-P581 HydrophobicContact CZ3-CB 3.67Å; W573-P581 VanDerWaalsContact CZ3-CD 3.5Å; W573-P581 HydrophobicContact CZ3-CG 3.89Å
574	T	59.3	Low	57.3	Low	70 Å²	70	69.6 Å²	69.6	43%	0.429	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	172.9	-178	59.5	0	0	0	0	111.9	C580 T582	T574-C580 PolarHBondContact N-O 3.47Å; T574-C580 PolarHBondContact O-N 3.48Å; T574-C580 PolarHBondContact OG1-O 3.24Å; T574-T582 HydrophobicContact CG2-CG2 3.35Å
575	G	60.1	Low	58.4	Low	41 Å²	41	71.8 Å²	71.8	42%	0.423	43%	0.426	S	S	.	.	S	Bend	trans	92.1	158.8	179.6	0	0	0	0	0	113.5	S577 C578	G575-S577 PolarHBondContact O-N 3.11Å; G575-S577 VanDerWaalsContact O-N 3.15Å; G575-C578 PolarHBondContact O-N 3.3Å
576	D	60.1	Low	59.2	Low	128 Å²	128	71.2 Å²	71.2	68%	0.684	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.7	-173.3	-66	-17.8	0	0	0	113.5
577	S	59.2	Low	60.1	Low	34 Å²	34	67.9 Å²	67.9	24%	0.238	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	5	176.4	48.5	0	0	0	0	114.3	G575 S579	G575-S577 PolarHBondContact O-N 3.11Å; G575-S577 VanDerWaalsContact O-N 3.15Å; S577-S579 PolarHBondContact O-N 2.9Å; S577-S579 PolarHBondContact OG-OG 3.21Å; S577-S579 VanDerWaalsContact OG-OG 3.07Å
578	C	64.1	Low	60.8	Low	9 Å²	9	64.9 Å²	64.9	6%	0.061	39%	0.389	C	S	.	.	S	Bend	trans	53.8	30.1	-172.4	-54.1	0	0	0	0	113.8	C556 G575	C556-C578 HydrophobicContact CB-CB 4.21Å; G575-C578 PolarHBondContact O-N 3.3Å
579	S	63.3	Low	61.6	Low	29 Å²	29	61.3 Å²	61.3	20%	0.203	37%	0.366	C	S	.	.			trans	-84.4	-26.4	-173.5	56.8	0	0	0	0	113.3	E551 W573 S577	E551-S579 WeakPolarHBondContact OE2-CA 3.4Å; E551-S579 WeakPolarHBondContact OE2-CB 3.05Å; W573-S579 VanDerWaalsContact CZ3-O 3.27Å; W573-S579 WeakPolarHBondContact CZ3-O 3.37Å; S577-S579 PolarHBondContact O-N 2.9Å; S577-S579 PolarHBondContact OG-OG 3.21Å; S577-S579 VanDerWaalsContact OG-OG 3.07Å
580	C	62.1	Low	62.3	Low	31 Å²	31	65.5 Å²	65.5	21%	0.209	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127	-170.2	-170.1	0	0	0	0	110.9	W573 T574 C611	W573-C580 CarbonylContact C-O 3.57Å; W573-C580 VanDerWaalsContact CA-O 3.26Å; W573-C580 WeakPolarHBondContact CA-O 3.34Å; W573-C580 VanDerWaalsContact CE3-C 3.41Å; T574-C580 PolarHBondContact N-O 3.47Å; T574-C580 PolarHBondContact O-N 3.48Å; T574-C580 PolarHBondContact OG1-O 3.24Å; C580-C611 VanDerWaalsContact CA-SG 3.56Å; C580-C611 HydrophobicContact CB-CB 3.93Å; C580-C611 WeakPolarHBondContact CB-SG 3.43Å; C580-C611 WeakPolarHBondContact SG-CB 3.38Å; C580-C611 CovalentContact SG-SG 2.06Å; C580-C611 PolarHBondContact SG-SG 3.31Å
581	P	66.3	Low	63.1	Low	25 Å²	25	67.2 Å²	67.2	16%	0.162	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	145	178	27.4	-28.6	0	0	0	111.3	G572 W573 S583	G572-P581 CarbonylContact O-C 2.8Å; G572-P581 VanDerWaalsContact O-CA 3.23Å; G572-P581 WeakPolarHBondContact O-CA 3.41Å; W573-P581 HydrophobicContact CD2-CB 4.26Å; W573-P581 HydrophobicContact CE3-CB 3.87Å; W573-P581 HydrophobicContact CE3-CG 4.44Å; W573-P581 VanDerWaalsContact CE3-N 3.33Å; W573-P581 HydrophobicContact CH2-CB 3.94Å; W573-P581 HydrophobicContact CH2-CG 4.27Å; W573-P581 HydrophobicContact CZ2-CB 4.37Å; W573-P581 HydrophobicContact CZ3-CB 3.67Å; W573-P581 VanDerWaalsContact CZ3-CD 3.5Å; W573-P581 HydrophobicContact CZ3-CG 3.89Å; P581-S583 PolarHBondContact O-N 2.87Å
582	T	65.1	Low	63.5	Low	79 Å²	79	61.4 Å²	61.4	49%	0.485	38%	0.384	S	S	.	.	S	Bend	trans	-75.5	-8.5	170.2	58	0	0	0	0	112.6	G572 T574	G572-T582 WeakPolarHBondContact CA-OG1 3.28Å; G572-T582 PolarHBondContact O-N 3.47Å; G572-T582 PolarHBondContact O-OG1 3.49Å; T574-T582 HydrophobicContact CG2-CG2 3.35Å
583	S	63.6	Low	63.8	Low	53 Å²	53	65.6 Å²	65.6	37%	0.371	40%	0.4	S	S	.	.			trans	-80.2	123.3	-179.7	-169.5	0	0	0	0	110.9	P581 T585	P581-S583 PolarHBondContact O-N 2.87Å; S583-T585 PolarHBondContact O-N 2.8Å; S583-T585 WeakPolarHBondContact OG-CB 3.31Å; S583-T585 VanDerWaalsContact OG-CG2 3.3Å; S583-T585 WeakPolarHBondContact OG-CG2 3.45Å; S583-T585 PolarHBondContact OG-N 3.39Å; S583-T585 PolarHBondContact OG-OG1 2.97Å
584	E	64.9	Low	63.7	Low	126 Å²	126	65.7 Å²	65.7	59%	0.589	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-78.8	-0.5	173.9	-64.4	178.2	-178.6	0	0	113	S586 C587 Q588 L594	E584-S586 VanDerWaalsContact C-N 3.35Å; E584-S586 PolarHBondContact O-N 3.45Å; E584-C587 WeakPolarHBondContact O-CA 3.47Å; E584-C587 VanDerWaalsContact O-CB 3.27Å; E584-C587 WeakPolarHBondContact O-CB 3.39Å; E584-C587 PolarHBondContact O-N 3.49Å; E584-Q588 PolarHBondContact O-N 3.39Å; E584-L594 HydrophobicContact CB-CD2 4.21Å; E584-L594 HydrophobicContact CG-CD2 4.25Å
585	T	67.1	Low	63.9	Low	104 Å²	104	63.8 Å²	63.8	64%	0.638	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-62.2	-38.4	-175.3	54.9	0	0	0	0	112.9	S583 C587 Q588	S583-T585 PolarHBondContact O-N 2.8Å; S583-T585 WeakPolarHBondContact OG-CB 3.31Å; S583-T585 VanDerWaalsContact OG-CG2 3.3Å; S583-T585 WeakPolarHBondContact OG-CG2 3.45Å; S583-T585 PolarHBondContact OG-N 3.39Å; S583-T585 PolarHBondContact OG-OG1 2.97Å; T585-C587 PolarHBondContact O-N 3.35Å; T585-Q588 PolarHBondContact O-N 3.3Å
586	S	61.6	Low	64	Low	36 Å²	36	65.2 Å²	65.2	25%	0.252	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-72.6	-13.2	174.1	52.7	0	0	0	0	113.5	E584 R600	E584-S586 VanDerWaalsContact C-N 3.35Å; E584-S586 PolarHBondContact O-N 3.45Å; S586-R600 PolarHBondContact O-NE 3.05Å; S586-R600 PolarHBondContact O-NH1 3.4Å; S586-R600 PolarHBondContact O-NH2 2.91Å
587	C	61.8	Low	64.1	Low	13 Å²	13	62.5 Å²	62.5	9%	0.088	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-96.3	-9.4	-178.7	-65.3	0	0	0	0	112.8	E584 T585 L594 C595 C605 C608	E584-C587 WeakPolarHBondContact O-CA 3.47Å; E584-C587 VanDerWaalsContact O-CB 3.27Å; E584-C587 WeakPolarHBondContact O-CB 3.39Å; E584-C587 PolarHBondContact O-N 3.49Å; T585-C587 PolarHBondContact O-N 3.35Å; C587-L594 HydrophobicContact CB-CD2 4.45Å; C587-C595 PolarHBondContact O-N 3.16Å; C587-C595 VanDerWaalsContact O-N 3.14Å; C587-C605 HydrophobicContact CB-CB 4.03Å; C587-C605 WeakPolarHBondContact CB-SG 3.36Å; C587-C608 PolarHBondContact SG-SG 2.78Å
588	Q	66.6	Low	64.2	Low	96 Å²	96	67 Å²	67	45%	0.449	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-83.7	131.3	179.5	-153.8	167.6	23.3	0	0	110.8	E584 T585 G592 R600	E584-Q588 PolarHBondContact O-N 3.39Å; T585-Q588 PolarHBondContact O-N 3.3Å; Q588-G592 PolarHBondContact NE2-O 3.16Å; Q588-R600 PolarHBondContact O-NH1 2.83Å
589	S	64.1	Low	63.8	Low	25 Å²	25	74.1 Å²	74.1	18%	0.175	44%	0.442	C	S	.	.			trans	-79.3	164.3	174	-49.2	0	0	0	0	110.2	D591 G592 L593	S589-D591 PolarHBondContact O-N 3.26Å; S589-G592 PolarHBondContact O-N 3.35Å; S589-L593 WeakPolarHBondContact CB-O 3.41Å; S589-L593 PolarHBondContact N-O 3.07Å; S589-L593 PolarHBondContact OG-O 3.13Å
590	A	66.7	Low	63.7	Low	110 Å²	110	76 Å²	76	91%	0.909	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.5	178.1	0	0	0	0	0	113.4	G592	A590-G592 VanDerWaalsContact C-N 3.31Å
591	D	68.7	Low	63.6	Low	145 Å²	145	76.5 Å²	76.5	78%	0.775	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	7.6	177.5	-54.1	-43.7	0	0	0	113.7	S589 L593	S589-D591 PolarHBondContact O-N 3.26Å; D591-L593 VanDerWaalsContact C-N 3.26Å; D591-L593 PolarHBondContact O-N 3.36Å
592	G	65.3	Low	63.2	Low	39 Å²	39	76.6 Å²	76.6	40%	0.402	45%	0.454	S	S	.	.	S	Bend	trans	80.7	-3.8	177.5	0	0	0	0	0	115.5	Q588 S589 A590	Q588-G592 PolarHBondContact NE2-O 3.16Å; S589-G592 PolarHBondContact O-N 3.35Å; A590-G592 VanDerWaalsContact C-N 3.31Å
593	L	64.3	Low	62.7	Low	111 Å²	111	80.4 Å²	80.4	58%	0.581	47%	0.471	S	S	*	.			trans	-83.6	132.9	177.8	-65.4	167.6	0	0	0	111.5	S589 D591 S596	S589-L593 WeakPolarHBondContact CB-O 3.41Å; S589-L593 PolarHBondContact N-O 3.07Å; S589-L593 PolarHBondContact OG-O 3.13Å; D591-L593 VanDerWaalsContact C-N 3.26Å; D591-L593 PolarHBondContact O-N 3.36Å; L593-S596 WeakPolarHBondContact CB-OG 3.23Å
594	L	63.3	Low	62.4	Low	75 Å²	75	86.7 Å²	86.7	39%	0.393	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-72.6	140.7	172.8	-104.3	98.1	0	0	0	110.9	E584 C587 S596	E584-L594 HydrophobicContact CB-CD2 4.21Å; E584-L594 HydrophobicContact CG-CD2 4.25Å; C587-L594 HydrophobicContact CB-CD2 4.45Å; L594-S596 PolarHBondContact O-N 3.22Å; L594-S596 PolarHBondContact O-OG 3.46Å
595	C	63.3	Low	62	Low	31 Å²	31	81 Å²	81	21%	0.209	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	41.2	165.2	-39.5	0	0	0	0	115.5	C587 R600 C605	C587-C595 PolarHBondContact O-N 3.16Å; C587-C595 VanDerWaalsContact O-N 3.14Å; C595-R600 CarbonylContact C-O 3.59Å; C595-R600 VanDerWaalsContact CA-O 3.23Å; C595-R600 WeakPolarHBondContact CA-O 3.1Å; C595-R600 WeakPolarHBondContact CB-O 3.18Å; C595-C605 VanDerWaalsContact CA-SG 3.57Å; C595-C605 HydrophobicContact CB-CB 4.44Å; C595-C605 WeakPolarHBondContact CB-SG 3.46Å; C595-C605 VanDerWaalsContact SG-CA 3.57Å; C595-C605 WeakPolarHBondContact SG-CB 3.37Å; C595-C605 CovalentContact SG-SG 2.02Å; C595-C605 PolarHBondContact SG-SG 2.9Å
596	S	62	Low	61.5	Low	71 Å²	71	81.6 Å²	81.6	50%	0.497	46%	0.462	S	S	.	.			trans	-101.2	1.1	-173.6	-35.6	0	0	0	0	114.5	L593 L594	L593-S596 WeakPolarHBondContact CB-OG 3.23Å; L594-S596 PolarHBondContact O-N 3.22Å; L594-S596 PolarHBondContact O-OG 3.46Å
597	D	62.6	Low	61.2	Low	71 Å²	71	88.4 Å²	88.4	38%	0.38	48%	0.482	S	S	.	.	B	Isolated β-bridge	trans	-105.4	139.8	-179.1	-176.7	-34.9	0	0	0	109.6	K599 R600	D597-K599 PolarHBondContact O-N 3.18Å; D597-K599 PolarHBondContact OD1-N 3.37Å; D597-R600 HydrophobicContact CB-CB 4.36Å; D597-R600 CarbonylContact O-C 3.32Å; D597-R600 VanDerWaalsContact O-C 3.31Å; D597-R600 WeakPolarHBondContact O-CA 3.3Å; D597-R600 PolarHBondContact O-N 3.43Å
598	P	61.3	Low	61	Low	127 Å²	127	87.9 Å²	87.9	83%	0.825	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-19.9	172.3	17	-30.3	0	0	0	115.8
599	K	55.7	Low	60.4	Low	160 Å²	160	88.1 Å²	88.1	70%	0.696	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.4	172.2	-68.2	-177.3	-180	177.2	0	115	D597 R607	D597-K599 PolarHBondContact O-N 3.18Å; D597-K599 PolarHBondContact OD1-N 3.37Å; K599-R607 CarbonylContact C-O 3.57Å
600	R	62.5	Low	59.9	Low	69 Å²	69	90.2 Å²	90.2	26%	0.26	50%	0.501	S	S	.	.	B	Isolated β-bridge	trans	-136.9	86.7	-174.4	-61.2	-174	-178.9	171.3	-4.2	109.4	S586 Q588 C595 D597 R607	S586-R600 PolarHBondContact O-NE 3.05Å; S586-R600 PolarHBondContact O-NH1 3.4Å; S586-R600 PolarHBondContact O-NH2 2.91Å; Q588-R600 PolarHBondContact O-NH1 2.83Å; C595-R600 CarbonylContact C-O 3.59Å; C595-R600 VanDerWaalsContact CA-O 3.23Å; C595-R600 WeakPolarHBondContact CA-O 3.1Å; C595-R600 WeakPolarHBondContact CB-O 3.18Å; D597-R600 HydrophobicContact CB-CB 4.36Å; D597-R600 CarbonylContact O-C 3.32Å; D597-R600 VanDerWaalsContact O-C 3.31Å; D597-R600 WeakPolarHBondContact O-CA 3.3Å; D597-R600 PolarHBondContact O-N 3.43Å; R600-R607 CarbonylContact C-O 3.56Å; R600-R607 WeakPolarHBondContact CA-O 3.15Å
601	S	58.3	Low	59.1	Low	40 Å²	40	89.1 Å²	89.1	28%	0.28	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-131	156.4	-172.6	59.6	0	0	0	0	113.6	C605 E606 R607	S601-C605 CarbonylContact O-C 3.52Å; S601-E606 PolarHBondContact O-N 3.03Å; S601-R607 PolarHBondContact N-O 3.18Å; S601-R607 VanDerWaalsContact N-O 3.14Å; S601-R607 PolarHBondContact O-N 2.92Å; S601-R607 WeakPolarHBondContact OG-CD 3.39Å
602	G	57.7	Low	58.6	Low	27 Å²	27	86.3 Å²	86.3	28%	0.278	47%	0.47	S	S	.	.	S	Bend	trans	119.4	153.8	-177.5	0	0	0	0	0	112.7	F604 C605 E606	G602-F604 PolarHBondContact O-N 2.94Å; G602-C605 PolarHBondContact O-N 2.82Å; G602-E606 VanDerWaalsContact CA-OE1 3.3Å; G602-E606 WeakPolarHBondContact CA-OE1 3.36Å
603	D	55.8	Low	58.3	Low	160 Å²	160	88.8 Å²	88.8	86%	0.856	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-21	177.2	-68.7	-24.6	0	0	0	111.8
604	F	56	Low	58	Low	185 Å²	185	87.6 Å²	87.6	81%	0.811	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	18.5	174.7	-57.4	-79.3	0	0	0	112.6	G602 E606	G602-F604 PolarHBondContact O-N 2.94Å; F604-E606 VanDerWaalsContact C-N 3.29Å; F604-E606 PolarHBondContact N-OE2 3.24Å; F604-E606 PolarHBondContact O-N 2.91Å
605	C	57.3	Low	57.6	Low	7 Å²	7	88.3 Å²	88.3	5%	0.047	47%	0.473	C	S	.	.			trans	57.6	34.5	-176.6	-105.6	0	0	0	0	114.7	C587 C595 S601 G602 R607	C587-C605 HydrophobicContact CB-CB 4.03Å; C587-C605 WeakPolarHBondContact CB-SG 3.36Å; C595-C605 VanDerWaalsContact CA-SG 3.57Å; C595-C605 HydrophobicContact CB-CB 4.44Å; C595-C605 WeakPolarHBondContact CB-SG 3.46Å; C595-C605 VanDerWaalsContact SG-CA 3.57Å; C595-C605 WeakPolarHBondContact SG-CB 3.37Å; C595-C605 CovalentContact SG-SG 2.02Å; C595-C605 PolarHBondContact SG-SG 2.9Å; S601-C605 CarbonylContact O-C 3.52Å; G602-C605 PolarHBondContact O-N 2.82Å; C605-R607 PolarHBondContact O-N 3.19Å
606	E	56.7	Low	57.3	Low	116 Å²	116	91.9 Å²	91.9	54%	0.542	49%	0.489	S	S	.	.			trans	-62.3	-12.7	-177.7	60.8	-100.4	-169.5	0	0	115.6	S601 G602 F604	S601-E606 PolarHBondContact O-N 3.03Å; G602-E606 VanDerWaalsContact CA-OE1 3.3Å; G602-E606 WeakPolarHBondContact CA-OE1 3.36Å; F604-E606 VanDerWaalsContact C-N 3.29Å; F604-E606 PolarHBondContact N-OE2 3.24Å; F604-E606 PolarHBondContact O-N 2.91Å
607	R	55	Low	57	Low	178 Å²	178	93.3 Å²	93.3	67%	0.672	49%	0.488	S	S	*	.	B	Isolated β-bridge	trans	-114.2	80.6	171.4	-68.8	179.3	-179.2	161.1	2.4	109.9	K599 R600 S601 C605	K599-R607 CarbonylContact C-O 3.57Å; R600-R607 CarbonylContact C-O 3.56Å; R600-R607 WeakPolarHBondContact CA-O 3.15Å; S601-R607 PolarHBondContact N-O 3.18Å; S601-R607 VanDerWaalsContact N-O 3.14Å; S601-R607 PolarHBondContact O-N 2.92Å; S601-R607 WeakPolarHBondContact OG-CD 3.39Å; C605-R607 PolarHBondContact O-N 3.19Å
608	C	59	Low	56.6	Low	3 Å²	3	94.9 Å²	94.9	2%	0.02	50%	0.496	C	S	.	.	S	Bend	trans	-128.5	146.6	177.7	-150.7	0	0	0	0	108.1	C587 T610 C611	C587-C608 PolarHBondContact SG-SG 2.78Å; C608-T610 PolarHBondContact O-N 2.58Å; C608-C611 CarbonylContact O-C 3.05Å; C608-C611 PolarHBondContact O-N 3.31Å
609	P	52.8	Low	56.2	Low	100 Å²	100	92.4 Å²	92.4	65%	0.649	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-9.9	-171.7	-24.3	33.5	0	0	0	116.8
610	T	52.8	Low	56.2	Low	70 Å²	70	86.8 Å²	86.8	43%	0.429	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-2.3	-179.7	47.2	0	0	0	0	113.6	C608	C608-T610 PolarHBondContact O-N 2.58Å
611	C	51.1	Low	55.7	Low	86 Å²	86	88.4 Å²	88.4	58%	0.581	47%	0.47	S	S	*	.			trans	-130.9	0	167.2	-48.3	0	0	0	0	107.8	C580 C608	C580-C611 VanDerWaalsContact CA-SG 3.56Å; C580-C611 HydrophobicContact CB-CB 3.93Å; C580-C611 WeakPolarHBondContact CB-SG 3.43Å; C580-C611 WeakPolarHBondContact SG-CB 3.38Å; C580-C611 CovalentContact SG-SG 2.06Å; C580-C611 PolarHBondContact SG-SG 3.31Å; C608-C611 CarbonylContact O-C 3.05Å; C608-C611 PolarHBondContact O-N 3.31Å

Retrieved 611 of 611 residues in 848.8 ms (Link to these results)

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