A0A096N6A1_PAPAN Loading...

Chromosome 2 open reading frame 42

AlphaFold DB (A0A0D9RRI9), UniProt , Accession A0A096N6A1, Species PAPAN (Papio anubis, Olive baboon), Gene C2orf42, Length 574 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	34	Very low	47.7	Very low	243 Å²	243	151.9 Å²	151.9	100%	1.197	79%	0.789	S	S	*	*				0	113.8	0	-90.7	178.1	165.1	0	0	107.6
2	E	38.8	Very low	49.5	Very low	171 Å²	171	146.5 Å²	146.5	80%	0.799	78%	0.783	S	S	*	*			trans	52.4	162.8	163.7	-78.8	-71.3	119.1	0	0	119.2
3	P	50	Low	51.2	Low	102 Å²	102	147.9 Å²	147.9	66%	0.662	78%	0.779	S	S	*	*			cis	-138.5	177.1	7.7	23.9	2.2	0	0	0	118.6
4	N	32.2	Very low	52.2	Low	138 Å²	138	141.5 Å²	141.5	74%	0.738	75%	0.745	S	S	*	*			trans	85.1	111.2	140.2	-93	-18.4	0	0	0	121.2
5	S	38.4	Very low	53.1	Low	113 Å²	113	137.9 Å²	137.9	79%	0.79	74%	0.736	S	S	*	*			trans	-136.3	118.5	137.2	63.9	0	0	0	0	110.8	R7	S5-R7 PolarHBondContact O-N 3.04Å; S5-R7 VanDerWaalsContact O-N 3.13Å
6	L	42.7	Very low	53.9	Low	163 Å²	163	139.3 Å²	139.3	85%	0.853	74%	0.743	S	S	*	*			trans	-56.7	107.9	178.6	-74.3	139.7	0	0	0	110.6	T8	L6-T8 PolarHBondContact O-N 3.08Å
7	R	48.4	Very low	54.2	Low	239 Å²	239	138.5 Å²	138.5	90%	0.902	74%	0.738	S	S	*	*			trans	-74.6	109.8	165.8	-76.1	-175.3	179.6	171.6	2.6	108.6	S5 K9	S5-R7 PolarHBondContact O-N 3.04Å; S5-R7 VanDerWaalsContact O-N 3.13Å; R7-K9 PolarHBondContact O-N 2.69Å; R7-K9 VanDerWaalsContact O-N 3.14Å
8	T	50.1	Low	54.9	Low	132 Å²	132	134.4 Å²	134.4	81%	0.81	74%	0.735	S	S	*	*			trans	-55.3	115.9	168.6	-30.8	0	0	0	0	108.5	L6 V10	L6-T8 PolarHBondContact O-N 3.08Å; T8-V10 PolarHBondContact O-N 3.01Å; T8-V10 VanDerWaalsContact O-N 3.12Å
9	K	56	Low	55.4	Low	200 Å²	200	137.9 Å²	137.9	87%	0.87	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.9	116.2	178.7	-69.7	-178.4	178.9	179.4	0	108.5	R7	R7-K9 PolarHBondContact O-N 2.69Å; R7-K9 VanDerWaalsContact O-N 3.14Å
10	V	61	Low	55.7	Low	102 Å²	102	136.2 Å²	136.2	62%	0.618	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-63.7	129.7	172.7	177	0	0	0	0	107.5	T8 L14	T8-V10 PolarHBondContact O-N 3.01Å; T8-V10 VanDerWaalsContact O-N 3.12Å; V10-L14 HydrophobicContact CG1-CB 3.64Å; V10-L14 HydrophobicContact CG1-CD1 4.45Å
11	P	73.4	Confident	56.3	Low	68 Å²	68	134 Å²	134	44%	0.442	74%	0.739	S	S	.	*	P	Polyproline II helix	trans	-51.6	139.5	176	-28.1	34.1	0	0	0	112	F13 L14	P11-F13 HydrophobicContact CB-CD1 3.55Å; P11-F13 HydrophobicContact CB-CE1 3.47Å; P11-F13 VanDerWaalsContact CB-CE1 3.47Å; P11-F13 HydrophobicContact CG-CE1 4.12Å; P11-F13 PolarHBondContact O-N 2.95Å; P11-L14 HydrophobicContact CB-CD1 4.47Å; P11-L14 HydrophobicContact CG-CD1 4.31Å; P11-L14 PolarHBondContact O-N 2.85Å
12	A	68.8	Low	58.1	Low	87 Å²	87	128.4 Å²	128.4	72%	0.719	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-56.3	-27.2	-173.7	0	0	0	0	0	114.1	L14 S15	A12-L14 PolarHBondContact O-N 2.85Å; A12-S15 PolarHBondContact O-N 3.34Å; A12-S15 PolarHBondContact O-OG 3.31Å
13	F	71.4	Confident	59.7	Low	165 Å²	165	130.4 Å²	130.4	72%	0.724	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-73.1	-10.1	176.8	82.3	-85.6	0	0	0	114.3	P11	P11-F13 HydrophobicContact CB-CD1 3.55Å; P11-F13 HydrophobicContact CB-CE1 3.47Å; P11-F13 VanDerWaalsContact CB-CE1 3.47Å; P11-F13 HydrophobicContact CG-CE1 4.12Å; P11-F13 PolarHBondContact O-N 2.95Å
14	L	65.1	Low	60.9	Low	58 Å²	58	127.7 Å²	127.7	30%	0.304	70%	0.703	S	S	.	*	G	3₁₀ helix	trans	-107.3	6.2	178.9	-60.5	172.8	0	0	0	112.3	V10 P11 A12 D16 L17	V10-L14 HydrophobicContact CG1-CB 3.64Å; V10-L14 HydrophobicContact CG1-CD1 4.45Å; P11-L14 HydrophobicContact CB-CD1 4.47Å; P11-L14 HydrophobicContact CG-CD1 4.31Å; P11-L14 PolarHBondContact O-N 2.85Å; A12-L14 PolarHBondContact O-N 2.85Å; L14-D16 VanDerWaalsContact C-N 3.29Å; L14-D16 PolarHBondContact O-N 3.05Å; L14-L17 HydrophobicContact CB-CD1 4.28Å; L14-L17 HydrophobicContact CD2-CD1 3.36Å; L14-L17 HydrophobicContact CG-CD1 4.41Å; L14-L17 PolarHBondContact O-N 3.33Å
15	S	66.6	Low	63.4	Low	87 Å²	87	124.6 Å²	124.6	61%	0.608	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-25.6	-178.2	57.6	0	0	0	0	113.8	A12	A12-S15 PolarHBondContact O-N 3.34Å; A12-S15 PolarHBondContact O-OG 3.31Å
16	D	66.1	Low	65.6	Low	160 Å²	160	122.5 Å²	122.5	86%	0.856	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-7.4	179.1	-75.3	-12.1	0	0	0	113.5	L14 G18	L14-D16 VanDerWaalsContact C-N 3.29Å; L14-D16 PolarHBondContact O-N 3.05Å; D16-G18 PolarHBondContact O-N 3.11Å; D16-G18 VanDerWaalsContact O-N 3.16Å
17	L	58.9	Low	67.8	Low	126 Å²	126	120.9 Å²	120.9	66%	0.66	65%	0.646	S	S	*	*	S	Bend	trans	-80.3	99.5	170.3	-63.8	170.6	0	0	0	107.3	L14	L14-L17 HydrophobicContact CB-CD1 4.28Å; L14-L17 HydrophobicContact CD2-CD1 3.36Å; L14-L17 HydrophobicContact CG-CD1 4.41Å; L14-L17 PolarHBondContact O-N 3.33Å
18	G	65.8	Low	69.4	Low	65 Å²	65	109.7 Å²	109.7	67%	0.67	61%	0.605	S	S	*	*			trans	-45.9	159.4	-179.2	0	0	0	0	0	114.4	D16 A20	D16-G18 PolarHBondContact O-N 3.11Å; D16-G18 VanDerWaalsContact O-N 3.16Å; G18-A20 PolarHBondContact O-N 2.99Å
19	K	64.9	Low	70.9	Confident	202 Å²	202	109 Å²	109	88%	0.878	60%	0.603	S	S	*	*	S	Bend	trans	-41.5	127	-173.8	-65.4	177.2	-178	173.7	0	112.3	T21	K19-T21 WeakPolarHBondContact O-CG2 3.49Å; K19-T21 PolarHBondContact O-N 3.37Å
20	A	61.8	Low	72	Confident	103 Å²	103	108.4 Å²	108.4	85%	0.851	60%	0.595	S	S	*	*			trans	-51.4	102.9	-178.5	0	0	0	0	0	111.5	G18	G18-A20 PolarHBondContact O-N 2.99Å
21	T	68.6	Low	73.1	Confident	91 Å²	91	105.8 Å²	105.8	56%	0.558	58%	0.581	S	S	*	*			trans	-77	129.4	177.6	71.8	0	0	0	0	108.5	K19 R23	K19-T21 WeakPolarHBondContact O-CG2 3.49Å; K19-T21 PolarHBondContact O-N 3.37Å; T21-R23 PolarHBondContact O-N 2.87Å
22	L	70.3	Confident	73.6	Confident	124 Å²	124	104.3 Å²	104.3	65%	0.649	58%	0.578	S	S	*	*			trans	-69.3	22.7	175.5	-60.5	174.4	0	0	0	112.7	I25	L22-I25 HydrophobicContact CB-CD1 4.29Å; L22-I25 HydrophobicContact CB-CG1 4.27Å; L22-I25 HydrophobicContact CD2-CD1 3.64Å; L22-I25 WeakPolarHBondContact O-CG1 3.49Å
23	R	73.1	Confident	74.6	Confident	214 Å²	214	102.3 Å²	102.3	81%	0.808	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	139	176.9	-69	-172.3	-143.1	-125.8	3	109.7	T21 I25	T21-R23 PolarHBondContact O-N 2.87Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-I25 PolarHBondContact O-N 3.45Å
24	G	76.1	Confident	75.4	Confident	44 Å²	44	100 Å²	100	45%	0.454	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.4	2.3	176.7	0	0	0	0	0	115.2	G36 T37	G24-G36 WeakPolarHBondContact O-CA 3.36Å; G24-T37 PolarHBondContact O-N 2.78Å; G24-T37 PolarHBondContact O-OG1 3.42Å
25	I	83.6	Confident	76.3	Confident	73 Å²	73	97.3 Å²	97.3	37%	0.374	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.9	174.6	56.4	171.2	0	0	0	111.8	L22 R23 Y34 N35	L22-I25 HydrophobicContact CB-CD1 4.29Å; L22-I25 HydrophobicContact CB-CG1 4.27Å; L22-I25 HydrophobicContact CD2-CD1 3.64Å; L22-I25 WeakPolarHBondContact O-CG1 3.49Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-I25 PolarHBondContact O-N 3.45Å; I25-Y34 HydrophobicContact CD1-CD1 4.15Å; I25-N35 CarbonylContact C-O 3.56Å; I25-N35 VanDerWaalsContact CA-O 3.23Å; I25-N35 WeakPolarHBondContact CA-O 3.39Å
26	R	85.6	Confident	77.1	Confident	70 Å²	70	94.4 Å²	94.4	26%	0.264	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.6	176.8	61.6	171.5	169.3	-168.6	-11.2	110.2	N35 T37 G39 F51	R26-N35 HydrophobicContact CG-CB 4.35Å; R26-N35 PolarHBondContact N-O 3.32Å; R26-N35 PolarHBondContact O-N 3.11Å; R26-T37 HydrophobicContact CB-CG2 4.46Å; R26-T37 PolarHBondContact NH2-O 2.89Å; R26-G39 PolarHBondContact NH2-O 2.91Å; R26-F51 VanDerWaalsContact NH2-CG 3.31Å
27	K	88.6	Confident	77.6	Confident	128 Å²	128	89.9 Å²	89.9	56%	0.557	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	142.4	170.7	-69.9	-178.1	178.4	177.8	0	110.5	Y34	K27-Y34 HydrophobicContact CD-CE1 4.12Å; K27-Y34 VanDerWaalsContact CE-CE1 3.42Å; K27-Y34 WeakPolarHBondContact CE-OH 3.43Å; K27-Y34 HydrophobicContact CG-CD1 3.79Å; K27-Y34 HydrophobicContact CG-CE1 3.53Å; K27-Y34 PolarHBondContact NZ-OH 3Å
28	C	82.3	Confident	78.5	Confident	4 Å²	4	94.3 Å²	94.3	3%	0.027	50%	0.5	C	S	.	.			trans	-66.6	130.1	167.7	-178.2	0	0	0	0	109	R30 C31 G32 T33 C42 C47 F51	C28-R30 PolarHBondContact O-N 3.39Å; C28-C31 VanDerWaalsContact SG-SG 3.6Å; C28-G32 VanDerWaalsContact O-CA 3.31Å; C28-G32 WeakPolarHBondContact O-CA 3.42Å; C28-G32 PolarHBondContact O-N 3.05Å; C28-T33 PolarHBondContact N-O 2.74Å; C28-C42 VanDerWaalsContact SG-SG 3.63Å; C28-C47 VanDerWaalsContact SG-SG 3.66Å; C28-F51 HydrophobicContact CB-CE1 4.05Å; C28-F51 HydrophobicContact CB-CZ 3.88Å
29	P	80.9	Confident	78.9	Confident	119 Å²	119	92.5 Å²	92.5	77%	0.773	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.5	179.8	28.8	-32	0	0	0	112.5
30	R	79.6	Confident	79.4	Confident	186 Å²	186	88.3 Å²	88.3	70%	0.702	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-42.4	-178.5	-170	-178.9	-171.7	-175.7	9.2	114	C28 C47 T49	C28-R30 PolarHBondContact O-N 3.39Å; R30-C47 PolarHBondContact NH1-O 2.99Å; R30-T49 VanDerWaalsContact CB-OG1 3.32Å; R30-T49 WeakPolarHBondContact CB-OG1 3.25Å; R30-T49 WeakPolarHBondContact CD-OG1 3.48Å
31	C	84.7	Confident	80.5	Confident	47 Å²	47	86.6 Å²	86.6	32%	0.318	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.1	4.2	-173.3	69.9	0	0	0	0	114.4	C28 T33 C42 C47	C28-C31 VanDerWaalsContact SG-SG 3.6Å; C31-T33 PolarHBondContact O-N 3.42Å; C31-T33 PolarHBondContact SG-OG1 2.99Å; C31-C42 PolarHBondContact SG-SG 3.32Å; C31-C47 HydrophobicContact CB-CB 3.9Å; C31-C47 VanDerWaalsContact SG-CB 3.57Å; C31-C47 PolarHBondContact SG-SG 3.28Å
32	G	83.9	Confident	81.2	Confident	38 Å²	38	82.8 Å²	82.8	39%	0.392	43%	0.426	S	S	.	.			trans	69.8	-8	178.8	0	0	0	0	0	116.1	C28 Y34	C28-G32 VanDerWaalsContact O-CA 3.31Å; C28-G32 WeakPolarHBondContact O-CA 3.42Å; C28-G32 PolarHBondContact O-N 3.05Å; G32-Y34 PolarHBondContact O-N 3.09Å
33	T	88.8	Confident	81.8	Confident	45 Å²	45	84.6 Å²	84.6	28%	0.276	43%	0.429	S	S	.	.			trans	-58.5	137	-179.4	-58.8	0	0	0	0	111.3	C28 C31 N35 K43 N44	C28-T33 PolarHBondContact N-O 2.74Å; C31-T33 PolarHBondContact O-N 3.42Å; C31-T33 PolarHBondContact SG-OG1 2.99Å; T33-N35 PolarHBondContact O-ND2 3.22Å; T33-K43 HydrophobicContact CG2-CB 4.44Å; T33-N44 HydrophobicContact CG2-CB 4.22Å; T33-N44 WeakPolarHBondContact OG1-CB 3.33Å
34	Y	87.3	Confident	82.2	Confident	117 Å²	117	76.8 Å²	76.8	46%	0.459	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	126.4	176.1	-70.6	-80.5	0	0	0	111.5	I25 K27 G32	I25-Y34 HydrophobicContact CD1-CD1 4.15Å; K27-Y34 HydrophobicContact CD-CE1 4.12Å; K27-Y34 VanDerWaalsContact CE-CE1 3.42Å; K27-Y34 WeakPolarHBondContact CE-OH 3.43Å; K27-Y34 HydrophobicContact CG-CD1 3.79Å; K27-Y34 HydrophobicContact CG-CE1 3.53Å; K27-Y34 PolarHBondContact NZ-OH 3Å; G32-Y34 PolarHBondContact O-N 3.09Å
35	N	85.3	Confident	82.2	Confident	1 Å²	1	84.4 Å²	84.4	1%	0.005	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	149.4	-174.9	-74	-80.4	0	0	0	110.1	I25 R26 T33 C42 K43 F51	I25-N35 CarbonylContact C-O 3.56Å; I25-N35 VanDerWaalsContact CA-O 3.23Å; I25-N35 WeakPolarHBondContact CA-O 3.39Å; R26-N35 HydrophobicContact CG-CB 4.35Å; R26-N35 PolarHBondContact N-O 3.32Å; R26-N35 PolarHBondContact O-N 3.11Å; T33-N35 PolarHBondContact O-ND2 3.22Å; N35-C42 WeakPolarHBondContact OD1-CA 3.03Å; N35-K43 WeakPolarHBondContact OD1-CB 3.41Å; N35-K43 WeakPolarHBondContact OD1-CG 3.42Å; N35-K43 PolarHBondContact OD1-N 3.35Å; N35-F51 HydrophobicContact CB-CE2 3.61Å; N35-F51 HydrophobicContact CB-CZ 3.9Å; N35-F51 VanDerWaalsContact CG-CE2 3.45Å; N35-F51 WeakPolarHBondContact ND2-CZ 2.87Å
36	G	82.9	Confident	81.6	Confident	25 Å²	25	87.2 Å²	87.2	26%	0.258	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	144.4	171.2	0	0	0	0	0	111	G24 R38 G39	G24-G36 WeakPolarHBondContact O-CA 3.36Å; G36-R38 PolarHBondContact O-N 2.95Å; G36-G39 PolarHBondContact O-N 3.48Å
37	T	77.4	Confident	81.4	Confident	65 Å²	65	84.3 Å²	84.3	40%	0.399	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-27	178.1	49.1	0	0	0	0	112.9	G24 R26	G24-T37 PolarHBondContact O-N 2.78Å; G24-T37 PolarHBondContact O-OG1 3.42Å; R26-T37 HydrophobicContact CB-CG2 4.46Å; R26-T37 PolarHBondContact NH2-O 2.89Å
38	R	76.6	Confident	80.5	Confident	220 Å²	220	80.7 Å²	80.7	83%	0.83	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-4.4	174.7	-60.3	-174.8	-178.6	-158.3	0.9	114.4	G36 L40	G36-R38 PolarHBondContact O-N 2.95Å; R38-L40 PolarHBondContact O-N 3.36Å
39	G	74.6	Confident	80.2	Confident	26 Å²	26	81.8 Å²	81.8	27%	0.268	44%	0.44	S	S	.	.			trans	-65.6	132.2	-179.2	0	0	0	0	0	111.7	R26 G36	R26-G39 PolarHBondContact NH2-O 2.91Å; G36-G39 PolarHBondContact O-N 3.48Å
40	L	76.6	Confident	80	Confident	115 Å²	115	80.5 Å²	80.5	60%	0.602	43%	0.426	S	S	*	.	S	Bend	trans	-77.5	-27.7	-179.2	-65.2	173.7	0	0	0	112.5	R38 I50 F51 R52	R38-L40 PolarHBondContact O-N 3.36Å; L40-I50 CarbonylContact O-C 3.54Å; L40-I50 VanDerWaalsContact O-CG2 3.25Å; L40-I50 WeakPolarHBondContact O-CG2 3.24Å; L40-F51 PolarHBondContact O-N 3.15Å; L40-R52 HydrophobicContact CD2-CB 4.07Å
41	S	84.6	Confident	79.6	Confident	66 Å²	66	73.3 Å²	73.3	46%	0.462	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-140.3	166.1	179.9	58.5	0	0	0	0	111.9	T49 F51	S41-T49 CarbonylContact C-O 3.54Å; S41-T49 WeakPolarHBondContact CA-O 3.48Å; S41-F51 VanDerWaalsContact O-CE2 3.31Å; S41-F51 WeakPolarHBondContact O-CE2 3.1Å
42	C	83.6	Confident	78.6	Confident	11 Å²	11	78.4 Å²	78.4	7%	0.074	41%	0.412	C	S	.	.			trans	-67.5	131.2	176.9	-165.1	0	0	0	0	110.8	C28 C31 N35 N44 C47 T49 F51	C28-C42 VanDerWaalsContact SG-SG 3.63Å; C31-C42 PolarHBondContact SG-SG 3.32Å; N35-C42 WeakPolarHBondContact OD1-CA 3.03Å; C42-N44 PolarHBondContact O-N 3.05Å; C42-C47 HydrophobicContact CB-CB 4.37Å; C42-T49 WeakPolarHBondContact CB-O 3.42Å; C42-T49 PolarHBondContact N-O 3.35Å; C42-F51 HydrophobicContact CB-CE2 4.18Å; C42-F51 HydrophobicContact CB-CZ 3.93Å
43	K	82.8	Confident	76.8	Confident	162 Å²	162	85.8 Å²	85.8	70%	0.704	43%	0.43	S	S	*	.	S	Bend	trans	-60.9	-27.2	171.9	-77	-173.1	173.1	-172	0	112.5	T33 N35 K45	T33-K43 HydrophobicContact CG2-CB 4.44Å; N35-K43 WeakPolarHBondContact OD1-CB 3.41Å; N35-K43 WeakPolarHBondContact OD1-CG 3.42Å; N35-K43 PolarHBondContact OD1-N 3.35Å; K43-K45 PolarHBondContact O-N 3.19Å
44	N	80.4	Confident	74.7	Confident	50 Å²	50	87 Å²	87	27%	0.267	45%	0.452	S	S	.	.			trans	-74.3	106.8	171.8	-176.5	2.6	0	0	0	109.6	T33 C42 T46 C47	T33-N44 HydrophobicContact CG2-CB 4.22Å; T33-N44 WeakPolarHBondContact OG1-CB 3.33Å; C42-N44 PolarHBondContact O-N 3.05Å; N44-T46 PolarHBondContact ND2-OG1 3.08Å; N44-T46 PolarHBondContact O-N 3.22Å; N44-T46 PolarHBondContact OD1-N 3.23Å; N44-T46 PolarHBondContact OD1-OG1 3.43Å; N44-C47 HydrophobicContact CB-CB 3.92Å; N44-C47 WeakPolarHBondContact O-CB 3.36Å; N44-C47 PolarHBondContact O-N 2.78Å; N44-C47 VanDerWaalsContact O-N 3.09Å
45	K	75.8	Confident	72.6	Confident	205 Å²	205	86.3 Å²	86.3	89%	0.891	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-28.5	-177.3	-68.2	-175.9	179.8	178.8	0	113.1	K43	K43-K45 PolarHBondContact O-N 3.19Å
46	T	72.3	Confident	70.5	Confident	131 Å²	131	97.7 Å²	97.7	80%	0.804	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-19.1	178.6	61.5	0	0	0	0	113	N44	N44-T46 PolarHBondContact ND2-OG1 3.08Å; N44-T46 PolarHBondContact O-N 3.22Å; N44-T46 PolarHBondContact OD1-N 3.23Å; N44-T46 PolarHBondContact OD1-OG1 3.43Å
47	C	80.3	Confident	68.5	Low	10 Å²	10	106.4 Å²	106.4	7%	0.068	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-39.1	-179.8	177	0	0	0	0	112.8	C28 R30 C31 C42 N44 T49	C28-C47 VanDerWaalsContact SG-SG 3.66Å; R30-C47 PolarHBondContact NH1-O 2.99Å; C31-C47 HydrophobicContact CB-CB 3.9Å; C31-C47 VanDerWaalsContact SG-CB 3.57Å; C31-C47 PolarHBondContact SG-SG 3.28Å; C42-C47 HydrophobicContact CB-CB 4.37Å; N44-C47 HydrophobicContact CB-CB 3.92Å; N44-C47 WeakPolarHBondContact O-CB 3.36Å; N44-C47 PolarHBondContact O-N 2.78Å; N44-C47 VanDerWaalsContact O-N 3.09Å; C47-T49 PolarHBondContact O-N 3.04Å; C47-T49 PolarHBondContact SG-OG1 2.77Å
48	G	69.5	Low	66.8	Low	51 Å²	51	111.1 Å²	111.1	53%	0.526	56%	0.561	S	S	.	*			trans	64.2	3.6	177.2	0	0	0	0	0	116.3	I50	G48-I50 PolarHBondContact O-N 2.64Å
49	T	77.1	Confident	65.4	Low	28 Å²	28	106.2 Å²	106.2	17%	0.172	56%	0.557	C	S	.	*			trans	-66.2	126	-177.7	-62.7	0	0	0	0	112	R30 S41 C42 C47 F51	R30-T49 VanDerWaalsContact CB-OG1 3.32Å; R30-T49 WeakPolarHBondContact CB-OG1 3.25Å; R30-T49 WeakPolarHBondContact CD-OG1 3.48Å; S41-T49 CarbonylContact C-O 3.54Å; S41-T49 WeakPolarHBondContact CA-O 3.48Å; C42-T49 WeakPolarHBondContact CB-O 3.42Å; C42-T49 PolarHBondContact N-O 3.35Å; C47-T49 PolarHBondContact O-N 3.04Å; C47-T49 PolarHBondContact SG-OG1 2.77Å; T49-F51 HydrophobicContact CG2-CD1 4.16Å; T49-F51 HydrophobicContact CG2-CE1 4.02Å
50	I	77.2	Confident	64.9	Low	92 Å²	92	107 Å²	107	47%	0.472	56%	0.558	S	S	.	*	B	Isolated β-bridge	trans	-98.6	127.1	175.5	-58.3	177.9	0	0	0	108.5	L40 G48 Y53	L40-I50 CarbonylContact O-C 3.54Å; L40-I50 VanDerWaalsContact O-CG2 3.25Å; L40-I50 WeakPolarHBondContact O-CG2 3.24Å; G48-I50 PolarHBondContact O-N 2.64Å; I50-Y53 HydrophobicContact CG2-CE2 4.47Å
51	F	70.1	Confident	64.7	Low	34 Å²	34	104.4 Å²	104.4	15%	0.149	55%	0.548	C	S	.	.	S	Bend	trans	-96.9	-19.5	-172.2	-56.9	-62.3	0	0	0	115	R26 C28 N35 L40 S41 C42 T49	R26-F51 VanDerWaalsContact NH2-CG 3.31Å; C28-F51 HydrophobicContact CB-CE1 4.05Å; C28-F51 HydrophobicContact CB-CZ 3.88Å; N35-F51 HydrophobicContact CB-CE2 3.61Å; N35-F51 HydrophobicContact CB-CZ 3.9Å; N35-F51 VanDerWaalsContact CG-CE2 3.45Å; N35-F51 WeakPolarHBondContact ND2-CZ 2.87Å; L40-F51 PolarHBondContact O-N 3.15Å; S41-F51 VanDerWaalsContact O-CE2 3.31Å; S41-F51 WeakPolarHBondContact O-CE2 3.1Å; C42-F51 HydrophobicContact CB-CE2 4.18Å; C42-F51 HydrophobicContact CB-CZ 3.93Å; T49-F51 HydrophobicContact CG2-CD1 4.16Å; T49-F51 HydrophobicContact CG2-CE1 4.02Å
52	R	63.7	Low	64.8	Low	155 Å²	155	104.5 Å²	104.5	59%	0.585	54%	0.541	S	S	*	.			trans	-140.9	112.9	173.4	-79.7	-170.5	-177	174.8	0.4	109.7	L40	L40-R52 HydrophobicContact CD2-CB 4.07Å
53	Y	45.8	Very low	65.1	Low	193 Å²	193	104.4 Å²	104.4	76%	0.757	54%	0.54	S	S	*	.			trans	-74.1	118.1	157.6	-80.4	-98.6	0	0	0	107.1	I50 A55	I50-Y53 HydrophobicContact CG2-CE2 4.47Å; Y53-A55 PolarHBondContact O-N 3.27Å
54	G	44.6	Very low	65.7	Low	71 Å²	71	96.8 Å²	96.8	73%	0.732	51%	0.508	S	S	*	.			trans	-53.9	124.6	168.1	0	0	0	0	0	108.6	R56	G54-R56 VanDerWaalsContact C-N 3.31Å; G54-R56 PolarHBondContact O-N 3.28Å
55	A	43.4	Very low	66.3	Low	101 Å²	101	97.8 Å²	97.8	84%	0.835	51%	0.51	S	S	*	.	S	Bend	trans	-64.5	89.6	178.4	0	0	0	0	0	110.4	Y53	Y53-A55 PolarHBondContact O-N 3.27Å
56	R	40.9	Very low	67.2	Low	241 Å²	241	88.1 Å²	88.1	91%	0.909	47%	0.468	S	S	*	.			trans	-146.6	97	144.8	-75.5	-161.9	-174.9	176.2	1	108.1	G54 Q58	G54-R56 VanDerWaalsContact C-N 3.31Å; G54-R56 PolarHBondContact O-N 3.28Å; R56-Q58 PolarHBondContact O-N 3.48Å
57	K	41.6	Very low	68.2	Low	207 Å²	207	84 Å²	84	90%	0.9	44%	0.44	S	S	*	.			trans	-67.1	113.5	160.9	-81.8	-178.5	173.9	-178.8	0	108.3
58	Q	40.9	Very low	68.6	Low	165 Å²	165	83.9 Å²	83.9	77%	0.771	44%	0.439	S	S	*	.			trans	-131.2	130.3	131.9	-83.8	-66.2	-15.4	0	0	105	R56 S60	R56-Q58 PolarHBondContact O-N 3.48Å; Q58-S60 PolarHBondContact O-N 3.34Å
59	P	47.9	Very low	69.3	Low	117 Å²	117	84.4 Å²	84.4	76%	0.76	45%	0.445	S	S	*	.			trans	-65.2	93.1	171.1	27.4	-30.5	0	0	0	106.9	V61	P59-V61 PolarHBondContact O-N 3.23Å
60	S	63.1	Low	69.5	Low	41 Å²	41	85.9 Å²	85.9	29%	0.287	46%	0.456	S	S	.	.			trans	-71	123.4	176.1	67.1	0	0	0	0	107.5	Q58 E62 R78	Q58-S60 PolarHBondContact O-N 3.34Å; S60-E62 WeakPolarHBondContact O-CG 3.27Å; S60-E62 PolarHBondContact O-N 3.01Å; S60-R78 VanDerWaalsContact CB-NH1 3.33Å; S60-R78 PolarHBondContact OG-NH1 2.89Å
61	V	74	Confident	69.7	Low	62 Å²	62	89.1 Å²	89.1	38%	0.376	47%	0.474	S	S	.	.			trans	-56.5	114.4	175.6	-172.2	0	0	0	0	109.3	P59 A63 V64 R87 A144	P59-V61 PolarHBondContact O-N 3.23Å; V61-A63 VanDerWaalsContact CG1-O 3.28Å; V61-A63 WeakPolarHBondContact CG1-O 3.49Å; V61-V64 HydrophobicContact CB-CG2 4.22Å; V61-V64 HydrophobicContact CG1-CG2 3.37Å; V61-R87 PolarHBondContact O-NH1 3.35Å; V61-R87 VanDerWaalsContact O-NH1 3.12Å; V61-R87 PolarHBondContact O-NH2 3.27Å; V61-A144 HydrophobicContact CG1-CB 3.76Å
62	E	85.2	Confident	70.3	Confident	68 Å²	68	92 Å²	92	32%	0.318	49%	0.491	S	S	.	.			trans	-79.2	-35.4	-167.7	-57.8	-156.9	141.6	0	0	112.5	S60 V77 R78 R80 L138	S60-E62 WeakPolarHBondContact O-CG 3.27Å; S60-E62 PolarHBondContact O-N 3.01Å; E62-V77 WeakPolarHBondContact O-CA 3.38Å; E62-R78 PolarHBondContact O-N 3.22Å; E62-R80 VanDerWaalsContact CD-NH2 3.25Å; E62-R80 IonicContact OE1-CZ 3.15Å; E62-R80 IonicContact OE1-NE 2.7Å; E62-R80 IonicContact OE1-NH2 2.64Å; E62-R80 PolarHBondContact OE1-NH2 3.46Å; E62-R80 IonicContact OE2-NH2 3.1Å; E62-R80 PolarHBondContact OE2-NH2 2.92Å; E62-R80 VanDerWaalsContact OE2-NH2 3.1Å; E62-L138 HydrophobicContact CB-CD1 4.38Å; E62-L138 HydrophobicContact CB-CD2 4.06Å; E62-L138 WeakPolarHBondContact OE2-CD2 3.07Å
63	A	90.8	Very high	71.5	Confident	8 Å²	8	87.4 Å²	87.4	7%	0.066	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	148	173.4	0	0	0	0	0	108.8	V61 S76 V77 L138 C142	V61-A63 VanDerWaalsContact CG1-O 3.28Å; V61-A63 WeakPolarHBondContact CG1-O 3.49Å; A63-S76 WeakPolarHBondContact CA-O 3.4Å; A63-V77 HydrophobicContact CB-CG1 4.5Å; A63-V77 HydrophobicContact CB-CG2 3.97Å; A63-L138 HydrophobicContact CB-CB 4.24Å; A63-L138 VanDerWaalsContact CB-O 3.26Å; A63-L138 WeakPolarHBondContact CB-O 3.33Å; A63-C142 HydrophobicContact CB-CB 3.71Å; A63-C142 PolarHBondContact O-SG 3.17Å
64	V	94.3	Very high	73.8	Confident	3 Å²	3	78.3 Å²	78.3	2%	0.018	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	127.5	175	-179.7	0	0	0	0	108	V61 Y75 S76 A144 A146 I184	V61-V64 HydrophobicContact CB-CG2 4.22Å; V61-V64 HydrophobicContact CG1-CG2 3.37Å; V64-Y75 CarbonylContact O-C 3.53Å; V64-Y75 WeakPolarHBondContact O-CA 3.4Å; V64-S76 PolarHBondContact N-O 3.34Å; V64-S76 VanDerWaalsContact N-O 3.1Å; V64-S76 PolarHBondContact O-N 2.94Å; V64-A144 WeakPolarHBondContact CA-O 3.4Å; V64-A144 HydrophobicContact CG2-CB 4.32Å; V64-A146 HydrophobicContact CG1-CB 3.96Å; V64-A146 VanDerWaalsContact CG1-N 3.32Å; V64-I184 HydrophobicContact CB-CD1 4.37Å; V64-I184 HydrophobicContact CB-CG2 3.88Å; V64-I184 HydrophobicContact CG1-CD1 4.01Å; V64-I184 HydrophobicContact CG1-CG2 4.37Å; V64-I184 HydrophobicContact CG2-CG2 3.7Å
65	K	94.3	Very high	76.1	Confident	71 Å²	71	75.7 Å²	75.7	31%	0.309	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	132.5	173.6	-169.2	-177.8	178.4	-171.3	0	110	Y75 A144 E145 A146	K65-Y75 HydrophobicContact CB-CD1 3.85Å; K65-Y75 HydrophobicContact CB-CE1 3.58Å; K65-Y75 HydrophobicContact CD-CE1 4.32Å; K65-Y75 HydrophobicContact CG-CD1 4.26Å; K65-Y75 HydrophobicContact CG-CE1 3.78Å; K65-A144 PolarHBondContact N-O 3.13Å; K65-E145 CarbonylContact O-C 3.59Å; K65-A146 WeakPolarHBondContact O-CB 3.16Å; K65-A146 PolarHBondContact O-N 3.13Å
66	I	95	Very high	78.5	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	136.8	179.2	-56.3	-179.1	0	0	0	108.3	T68 V74 F89 I184 V190	I66-T68 HydrophobicContact CG2-CG2 4.47Å; I66-T68 PolarHBondContact O-N 2.94Å; I66-V74 HydrophobicContact CB-CB 4.4Å; I66-V74 WeakPolarHBondContact CB-O 3.38Å; I66-V74 HydrophobicContact CD1-CG1 3.9Å; I66-V74 PolarHBondContact N-O 3.01Å; I66-F89 HydrophobicContact CD1-CD1 3.5Å; I66-F89 VanDerWaalsContact CD1-CD1 3.5Å; I66-F89 HydrophobicContact CD1-CE1 3.28Å; I66-I184 HydrophobicContact CG1-CD1 4.47Å; I66-V190 HydrophobicContact CD1-CG1 4.36Å; I66-V190 HydrophobicContact CD1-CG2 4.23Å; I66-V190 HydrophobicContact CG2-CG1 4.33Å
67	I	93.5	Very high	80.9	Confident	44 Å²	44	59.4 Å²	59.4	23%	0.226	33%	0.325	C	S	.	.			trans	-81.7	109.6	176.1	-55.7	170.7	0	0	0	107.3	E145 A146 P148 P179 Q182	I67-E145 HydrophobicContact CD1-CG 4.29Å; I67-E145 HydrophobicContact CG1-CG 3.93Å; I67-A146 VanDerWaalsContact CD1-O 3.27Å; I67-A146 WeakPolarHBondContact CD1-O 3.39Å; I67-P148 HydrophobicContact CD1-CB 4.46Å; I67-P148 HydrophobicContact CD1-CG 4.16Å; I67-P179 HydrophobicContact CB-CG 4.06Å; I67-P179 HydrophobicContact CG2-CG 4.28Å; I67-P179 WeakPolarHBondContact O-CD 3.48Å; I67-Q182 PolarHBondContact O-NE2 3.35Å; I67-Q182 PolarHBondContact O-OE1 3.17Å
68	T	88.4	Confident	83.2	Confident	8 Å²	8	52.1 Å²	52.1	5%	0.049	29%	0.292	C	S	.	.			trans	-99.8	-20.4	-179.6	60.8	0	0	0	0	113	I66 S70 L72 V74 T177 G178 Y203	I66-T68 HydrophobicContact CG2-CG2 4.47Å; I66-T68 PolarHBondContact O-N 2.94Å; T68-S70 PolarHBondContact O-N 3.32Å; T68-S70 PolarHBondContact OG1-N 3.02Å; T68-S70 PolarHBondContact OG1-O 3.12Å; T68-S70 PolarHBondContact OG1-OG 2.86Å; T68-L72 PolarHBondContact OG1-O 3.27Å; T68-L72 VanDerWaalsContact OG1-O 3.04Å; T68-V74 HydrophobicContact CG2-CB 4.1Å; T68-V74 HydrophobicContact CG2-CG2 3.91Å; T68-T177 CarbonylContact O-C 3.33Å; T68-G178 PolarHBondContact O-N 2.9Å; T68-Y203 WeakPolarHBondContact CA-OH 3.48Å; T68-Y203 HydrophobicContact CG2-CE2 3.78Å
69	G	83	Confident	85.3	Confident	62 Å²	62	45.3 Å²	45.3	64%	0.639	26%	0.26	S	S	*	.	S	Bend	trans	68.2	18	-170.7	0	0	0	0	0	113.3
70	S	82.6	Confident	86.4	Confident	58 Å²	58	46.1 Å²	46.1	41%	0.406	25%	0.248	S	C	.	.	S	Bend	trans	-136.1	172	178.6	67.1	0	0	0	0	110	T68 L72	T68-S70 PolarHBondContact O-N 3.32Å; T68-S70 PolarHBondContact OG1-N 3.02Å; T68-S70 PolarHBondContact OG1-O 3.12Å; T68-S70 PolarHBondContact OG1-OG 2.86Å; S70-L72 PolarHBondContact O-N 2.85Å; S70-L72 VanDerWaalsContact O-N 3.15Å; S70-L72 WeakPolarHBondContact OG-CB 3.42Å; S70-L72 PolarHBondContact OG-N 3.02Å
71	D	79.6	Confident	86.6	Confident	161 Å²	161	51.8 Å²	51.8	86%	0.861	28%	0.275	S	S	*	.	S	Bend	trans	-69.4	-7.3	176.1	-57.5	-34.3	0	0	0	113.2	Q73	D71-Q73 PolarHBondContact O-N 3.49Å
72	L	82.9	Confident	86.2	Confident	94 Å²	94	56 Å²	56	49%	0.492	29%	0.285	S	S	.	.			trans	-69.3	117	176.6	-60.5	175.7	0	0	0	111	T68 S70 V74	T68-L72 PolarHBondContact OG1-O 3.27Å; T68-L72 VanDerWaalsContact OG1-O 3.04Å; S70-L72 PolarHBondContact O-N 2.85Å; S70-L72 VanDerWaalsContact O-N 3.15Å; S70-L72 WeakPolarHBondContact OG-CB 3.42Å; S70-L72 PolarHBondContact OG-N 3.02Å; L72-V74 HydrophobicContact CB-CG2 4.34Å; L72-V74 PolarHBondContact O-N 3.34Å
73	Q	89.9	Confident	85.2	Confident	58 Å²	58	53.7 Å²	53.7	27%	0.271	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	95.2	175.8	-55.1	-166.6	-2.1	0	0	111	D71 Y75 E91 L92 V94	D71-Q73 PolarHBondContact O-N 3.49Å; Q73-Y75 HydrophobicContact CB-CE2 3.83Å; Q73-E91 CarbonylContact O-C 3.6Å; Q73-E91 WeakPolarHBondContact O-CA 3.32Å; Q73-L92 HydrophobicContact CB-CB 4.23Å; Q73-L92 PolarHBondContact O-N 3.2Å; Q73-V94 HydrophobicContact CG-CG2 4.27Å
74	V	93.1	Very high	83.8	Confident	2 Å²	2	57 Å²	57	1%	0.012	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.3	179.9	-171.4	0	0	0	0	110.6	I66 T68 L72 F89 V90 L201	I66-V74 HydrophobicContact CB-CB 4.4Å; I66-V74 WeakPolarHBondContact CB-O 3.38Å; I66-V74 HydrophobicContact CD1-CG1 3.9Å; I66-V74 PolarHBondContact N-O 3.01Å; T68-V74 HydrophobicContact CG2-CB 4.1Å; T68-V74 HydrophobicContact CG2-CG2 3.91Å; L72-V74 HydrophobicContact CB-CG2 4.34Å; L72-V74 PolarHBondContact O-N 3.34Å; V74-F89 HydrophobicContact CG1-CB 4.38Å; V74-F89 HydrophobicContact CG1-CD1 4.06Å; V74-V90 CarbonylContact C-O 3.59Å; V74-V90 WeakPolarHBondContact CA-O 3.46Å; V74-L201 HydrophobicContact CG1-CD1 3.93Å; V74-L201 HydrophobicContact CG2-CD2 4.39Å
75	Y	94	Very high	82.7	Confident	16 Å²	16	60.2 Å²	60.2	6%	0.063	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.9	-177.5	-64.8	-97	0	0	0	111.7	V64 K65 Q73 F89 V90 L92 A139 C142	V64-Y75 CarbonylContact O-C 3.53Å; V64-Y75 WeakPolarHBondContact O-CA 3.4Å; K65-Y75 HydrophobicContact CB-CD1 3.85Å; K65-Y75 HydrophobicContact CB-CE1 3.58Å; K65-Y75 HydrophobicContact CD-CE1 4.32Å; K65-Y75 HydrophobicContact CG-CD1 4.26Å; K65-Y75 HydrophobicContact CG-CE1 3.78Å; Q73-Y75 HydrophobicContact CB-CE2 3.83Å; Y75-F89 CarbonylContact O-C 3.52Å; Y75-F89 VanDerWaalsContact O-CA 3.28Å; Y75-F89 WeakPolarHBondContact O-CA 3.27Å; Y75-V90 PolarHBondContact N-O 3.21Å; Y75-V90 PolarHBondContact O-N 3.07Å; Y75-L92 HydrophobicContact CD2-CD1 4.05Å; Y75-L92 HydrophobicContact CD2-CG 4.01Å; Y75-L92 HydrophobicContact CE2-CB 4.29Å; Y75-L92 HydrophobicContact CE2-CD1 3.5Å; Y75-L92 VanDerWaalsContact CE2-CD1 3.5Å; Y75-L92 HydrophobicContact CE2-CG 3.79Å; Y75-A139 HydrophobicContact CD1-CB 4.32Å; Y75-A139 HydrophobicContact CD2-CB 3.94Å; Y75-A139 WeakPolarHBondContact CE1-O 3.42Å; Y75-A139 HydrophobicContact CG-CB 3.77Å; Y75-C142 HydrophobicContact CD1-CB 3.64Å; Y75-C142 HydrophobicContact CE1-CB 3.58Å
76	S	93.6	Very high	82.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	101.6	172.2	-177.9	0	0	0	0	110.4	A63 V64 R87 C88 H205	A63-S76 WeakPolarHBondContact CA-O 3.4Å; V64-S76 PolarHBondContact N-O 3.34Å; V64-S76 VanDerWaalsContact N-O 3.1Å; V64-S76 PolarHBondContact O-N 2.94Å; S76-R87 PolarHBondContact O-NH1 2.98Å; S76-R87 WeakPolarHBondContact OG-CD 3.43Å; S76-C88 WeakPolarHBondContact CA-O 3.47Å; S76-H205 PolarHBondContact OG-CD2 3.28Å; S76-H205 PolarHBondContact OG-NE2 3.48Å
77	V	92.1	Very high	81.8	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135.6	-171.6	-172.5	0	0	0	0	111.6	E62 A63 R87 C88 V90 H135 L138 A139	E62-V77 WeakPolarHBondContact O-CA 3.38Å; A63-V77 HydrophobicContact CB-CG1 4.5Å; A63-V77 HydrophobicContact CB-CG2 3.97Å; V77-R87 CarbonylContact O-C 3.55Å; V77-R87 WeakPolarHBondContact O-CA 3.49Å; V77-C88 PolarHBondContact N-O 2.71Å; V77-C88 PolarHBondContact O-N 3.5Å; V77-C88 PolarHBondContact O-SG 3.28Å; V77-C88 VanDerWaalsContact O-SG 3.39Å; V77-V90 HydrophobicContact CB-CG2 4.26Å; V77-V90 HydrophobicContact CG2-CB 4.09Å; V77-V90 HydrophobicContact CG2-CG2 3.7Å; V77-H135 HydrophobicContact CG1-CB 4.11Å; V77-L138 HydrophobicContact CG1-CB 3.74Å; V77-L138 HydrophobicContact CG1-CD1 3.74Å; V77-L138 HydrophobicContact CG1-CG 4.4Å; V77-A139 HydrophobicContact CG2-CB 4.12Å
78	R	88.7	Confident	81.6	Confident	54 Å²	54	62.5 Å²	62.5	20%	0.204	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	130.7	179.6	-175	180	170.6	-165.8	-4.6	111.9	S60 E62 R80 G83	S60-R78 VanDerWaalsContact CB-NH1 3.33Å; S60-R78 PolarHBondContact OG-NH1 2.89Å; E62-R78 PolarHBondContact O-N 3.22Å; R78-R80 PolarHBondContact O-N 3.05Å; R78-G83 PolarHBondContact NE-O 3.34Å
79	Q	85.1	Confident	81.8	Confident	22 Å²	22	63.2 Å²	63.2	10%	0.103	33%	0.325	C	S	.	.			trans	-91	94	173.1	-64.1	-176.7	55.6	0	0	109.9	D81 R82 G83 Y86 R87 C88 V117	Q79-D81 PolarHBondContact O-N 3.32Å; Q79-D81 VanDerWaalsContact O-N 3.16Å; Q79-R82 HydrophobicContact CB-CB 4.47Å; Q79-R82 PolarHBondContact O-N 2.95Å; Q79-R82 VanDerWaalsContact O-N 3.17Å; Q79-G83 PolarHBondContact O-N 3.47Å; Q79-Y86 PolarHBondContact N-O 2.79Å; Q79-R87 PolarHBondContact NE2-O 3.19Å; Q79-C88 HydrophobicContact CG-CB 4.2Å; Q79-V117 HydrophobicContact CG-CG2 4.43Å
80	R	72.3	Confident	82.3	Confident	135 Å²	135	60.2 Å²	60.2	51%	0.509	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.2	-175.1	-69.5	-172.3	-177.7	-179.4	6.3	113.2	E62 R78 R82	E62-R80 VanDerWaalsContact CD-NH2 3.25Å; E62-R80 IonicContact OE1-CZ 3.15Å; E62-R80 IonicContact OE1-NE 2.7Å; E62-R80 IonicContact OE1-NH2 2.64Å; E62-R80 PolarHBondContact OE1-NH2 3.46Å; E62-R80 IonicContact OE2-NH2 3.1Å; E62-R80 PolarHBondContact OE2-NH2 2.92Å; E62-R80 VanDerWaalsContact OE2-NH2 3.1Å; R78-R80 PolarHBondContact O-N 3.05Å; R80-R82 VanDerWaalsContact C-N 3.29Å; R80-R82 PolarHBondContact O-N 3.03Å
81	D	66.3	Low	82.6	Confident	159 Å²	159	59.3 Å²	59.3	85%	0.85	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-16.5	-175.1	-55.8	-36.4	0	0	0	114.2	Q79	Q79-D81 PolarHBondContact O-N 3.32Å; Q79-D81 VanDerWaalsContact O-N 3.16Å
82	R	65.4	Low	83	Confident	151 Å²	151	52.3 Å²	52.3	57%	0.57	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-15	-176.8	-65.9	-167.8	177.4	-167.4	-0.6	114	Q79 R80 Y86	Q79-R82 HydrophobicContact CB-CB 4.47Å; Q79-R82 PolarHBondContact O-N 2.95Å; Q79-R82 VanDerWaalsContact O-N 3.17Å; R80-R82 VanDerWaalsContact C-N 3.29Å; R80-R82 PolarHBondContact O-N 3.03Å; R82-Y86 VanDerWaalsContact C-CD2 3.44Å; R82-Y86 HydrophobicContact CB-CD1 4.18Å; R82-Y86 HydrophobicContact CB-CD2 3.88Å; R82-Y86 HydrophobicContact CB-CG 3.66Å; R82-Y86 WeakPolarHBondContact O-CD2 3.47Å; R82-Y86 WeakPolarHBondContact O-CE2 3.33Å
83	G	64.5	Low	82.6	Confident	19 Å²	19	49.2 Å²	49.2	20%	0.196	24%	0.237	C	C	.	.			trans	136	-171.8	175.1	0	0	0	0	0	114.1	R78 Q79	R78-G83 PolarHBondContact NE-O 3.34Å; Q79-G83 PolarHBondContact O-N 3.47Å
84	P	61.5	Low	81.3	Confident	79 Å²	79	50.1 Å²	50.1	51%	0.513	25%	0.246	S	C	.	.	S	Bend	trans	-73	-33.9	180	28	-32.5	0	0	0	114.3
85	D	70.3	Confident	79.4	Confident	70 Å²	70	52.7 Å²	52.7	37%	0.374	26%	0.264	S	S	.	.	S	Bend	trans	-97.4	-8.7	-170.5	-59.6	-40.2	0	0	0	113.3	R87 I188	D85-R87 PolarHBondContact O-N 3.11Å; D85-I188 HydrophobicContact CB-CD1 4.11Å
86	Y	81.8	Confident	77.3	Confident	135 Å²	135	57.5 Å²	57.5	53%	0.529	29%	0.287	S	S	.	.			trans	-80.4	120.9	178.7	-70.7	-88.9	0	0	0	110.7	Q79 R82	Q79-Y86 PolarHBondContact N-O 2.79Å; R82-Y86 VanDerWaalsContact C-CD2 3.44Å; R82-Y86 HydrophobicContact CB-CD1 4.18Å; R82-Y86 HydrophobicContact CB-CD2 3.88Å; R82-Y86 HydrophobicContact CB-CG 3.66Å; R82-Y86 WeakPolarHBondContact O-CD2 3.47Å; R82-Y86 WeakPolarHBondContact O-CE2 3.33Å
87	R	89.3	Confident	75.1	Confident	21 Å²	21	60.5 Å²	60.5	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	165	177.9	-61.5	-167.1	173.2	-102.6	-8.9	111.2	V61 S76 V77 Q79 D85	V61-R87 PolarHBondContact O-NH1 3.35Å; V61-R87 VanDerWaalsContact O-NH1 3.12Å; V61-R87 PolarHBondContact O-NH2 3.27Å; S76-R87 PolarHBondContact O-NH1 2.98Å; S76-R87 WeakPolarHBondContact OG-CD 3.43Å; V77-R87 CarbonylContact O-C 3.55Å; V77-R87 WeakPolarHBondContact O-CA 3.49Å; Q79-R87 PolarHBondContact NE2-O 3.19Å; D85-R87 PolarHBondContact O-N 3.11Å
88	C	89.7	Confident	73	Confident	8 Å²	8	64.8 Å²	64.8	5%	0.054	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.7	176.4	59	0	0	0	0	109.4	S76 V77 Q79 V117	S76-C88 WeakPolarHBondContact CA-O 3.47Å; V77-C88 PolarHBondContact N-O 2.71Å; V77-C88 PolarHBondContact O-N 3.5Å; V77-C88 PolarHBondContact O-SG 3.28Å; V77-C88 VanDerWaalsContact O-SG 3.39Å; Q79-C88 HydrophobicContact CG-CB 4.2Å; C88-V117 HydrophobicContact CB-CG2 3.42Å; C88-V117 VanDerWaalsContact CB-CG2 3.42Å; C88-V117 WeakPolarHBondContact SG-CG2 3.37Å
89	F	93.1	Very high	71.5	Confident	23 Å²	23	66.2 Å²	66.2	10%	0.101	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	142.1	171.7	-61.3	-64.9	0	0	0	111.1	I66 V74 Y75 Y116 V190 L201 Y203 H205	I66-F89 HydrophobicContact CD1-CD1 3.5Å; I66-F89 VanDerWaalsContact CD1-CD1 3.5Å; I66-F89 HydrophobicContact CD1-CE1 3.28Å; V74-F89 HydrophobicContact CG1-CB 4.38Å; V74-F89 HydrophobicContact CG1-CD1 4.06Å; Y75-F89 CarbonylContact O-C 3.52Å; Y75-F89 VanDerWaalsContact O-CA 3.28Å; Y75-F89 WeakPolarHBondContact O-CA 3.27Å; F89-Y116 HydrophobicContact CB-CD2 4.24Å; F89-Y116 WeakPolarHBondContact O-CB 3.28Å; F89-Y116 PolarHBondContact O-N 3.1Å; F89-V190 HydrophobicContact CE1-CG1 4.49Å; F89-V190 HydrophobicContact CE1-CG2 4.1Å; F89-V190 HydrophobicContact CZ-CG2 4.36Å; F89-L201 HydrophobicContact CB-CD1 3.39Å; F89-L201 HydrophobicContact CD2-CD1 4.11Å; F89-L201 HydrophobicContact CG-CD1 3.79Å; F89-Y203 VanDerWaalsContact CE2-O 3.26Å; F89-Y203 WeakPolarHBondContact CE2-O 3.5Å; F89-H205 AromaticContact CD1-CE1 3.61Å; F89-H205 AromaticContact CD1-NE2 3.99Å; F89-H205 AromaticContact CD2-CE1 3.82Å; F89-H205 AromaticContact CE1-CE1 3.25Å; F89-H205 WeakPolarHBondContact CE1-CE1 3.3Å; F89-H205 AromaticContact CE1-NE2 3.45Å; F89-H205 WeakPolarHBondContact CE1-NE2 3.19Å; F89-H205 AromaticContact CE2-CE1 3.5Å; F89-H205 AromaticContact CE2-ND1 3.61Å; F89-H205 AromaticContact CG-CE1 3.88Å; F89-H205 AromaticContact CZ-CE1 3.21Å; F89-H205 WeakPolarHBondContact CZ-CE1 3.27Å; F89-H205 AromaticContact CZ-ND1 3.5Å; F89-H205 WeakPolarHBondContact CZ-ND1 3.49Å; F89-H205 AromaticContact CZ-NE2 3.71Å
90	V	91.8	Very high	69.7	Low	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.1	167.4	176.4	0	0	0	0	107	V74 Y75 V77 L92 R114 C115 H135 I136 A139	V74-V90 CarbonylContact C-O 3.59Å; V74-V90 WeakPolarHBondContact CA-O 3.46Å; Y75-V90 PolarHBondContact N-O 3.21Å; Y75-V90 PolarHBondContact O-N 3.07Å; V77-V90 HydrophobicContact CB-CG2 4.26Å; V77-V90 HydrophobicContact CG2-CB 4.09Å; V77-V90 HydrophobicContact CG2-CG2 3.7Å; V90-L92 HydrophobicContact CG1-CD2 3.99Å; V90-R114 CarbonylContact C-O 3.45Å; V90-R114 WeakPolarHBondContact CA-O 3.37Å; V90-C115 HydrophobicContact CG2-CB 4.42Å; V90-H135 HydrophobicContact CG2-CB 3.84Å; V90-I136 HydrophobicContact CG1-CG1 3.97Å; V90-A139 HydrophobicContact CB-CB 3.98Å; V90-A139 HydrophobicContact CG1-CB 3.66Å
91	E	90.9	Very high	69.1	Low	38 Å²	38	69.7 Å²	69.7	18%	0.178	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.3	175.9	176.4	177.8	-154.2	0	0	107.9	Q73 G113 R114 Y116	Q73-E91 CarbonylContact O-C 3.6Å; Q73-E91 WeakPolarHBondContact O-CA 3.32Å; E91-G113 CarbonylContact O-C 3.56Å; E91-G113 WeakPolarHBondContact O-CA 3.35Å; E91-R114 HydrophobicContact CB-CB 4.42Å; E91-R114 PolarHBondContact N-O 2.66Å; E91-R114 PolarHBondContact O-N 2.92Å; E91-Y116 HydrophobicContact CB-CE2 3.83Å; E91-Y116 PolarHBondContact OE2-OH 3.31Å
92	L	88.1	Confident	68.7	Low	15 Å²	15	69.5 Å²	69.5	8%	0.079	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.2	173.3	-57.7	-176.6	0	0	0	108	Q73 Y75 V90 I136 A139 V140	Q73-L92 HydrophobicContact CB-CB 4.23Å; Q73-L92 PolarHBondContact O-N 3.2Å; Y75-L92 HydrophobicContact CD2-CD1 4.05Å; Y75-L92 HydrophobicContact CD2-CG 4.01Å; Y75-L92 HydrophobicContact CE2-CB 4.29Å; Y75-L92 HydrophobicContact CE2-CD1 3.5Å; Y75-L92 VanDerWaalsContact CE2-CD1 3.5Å; Y75-L92 HydrophobicContact CE2-CG 3.79Å; V90-L92 HydrophobicContact CG1-CD2 3.99Å; L92-I136 HydrophobicContact CD2-CG2 4.09Å; L92-A139 HydrophobicContact CD1-CB 4.11Å; L92-A139 HydrophobicContact CD2-CB 4.24Å; L92-A139 HydrophobicContact CG-CB 4.28Å; L92-V140 HydrophobicContact CD1-CG2 3.85Å; L92-V140 HydrophobicContact CD2-CG2 4.1Å
93	G	74.4	Confident	68	Low	29 Å²	29	70.2 Å²	70.2	30%	0.299	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	130.5	169.6	0	0	0	0	0	109.7	S112	G93-S112 WeakPolarHBondContact CA-O 3.32Å; G93-S112 PolarHBondContact N-O 3.48Å; G93-S112 PolarHBondContact O-N 3.31Å
94	V	60.8	Low	67.3	Low	76 Å²	76	71 Å²	71	46%	0.461	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	96.2	168.1	-168.4	0	0	0	0	106.2	Q73 E96	Q73-V94 HydrophobicContact CG-CG2 4.27Å; V94-E96 HydrophobicContact CG1-CG 4.23Å
95	S	53.2	Low	66.9	Low	56 Å²	56	71.6 Å²	71.6	39%	0.392	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	99.2	169.5	-61.7	0	0	0	0	108.1	T97 Q109 L110	S95-T97 PolarHBondContact O-N 2.86Å; S95-Q109 WeakPolarHBondContact O-CA 3.5Å; S95-L110 PolarHBondContact N-O 2.82Å; S95-L110 PolarHBondContact O-N 3.34Å
96	E	51.8	Low	65.9	Low	117 Å²	117	72.6 Å²	72.6	55%	0.547	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.2	167	-70.8	-169.6	165	0	0	108.3	V94 I107 Q109	V94-E96 HydrophobicContact CG1-CG 4.23Å; E96-I107 HydrophobicContact CB-CG2 4.38Å; E96-I107 HydrophobicContact CG-CG2 4.38Å; E96-Q109 HydrophobicContact CG-CG 3.9Å; E96-Q109 PolarHBondContact OE1-NE2 2.77Å
97	T	46.9	Very low	64.4	Low	64 Å²	64	71.2 Å²	71.2	39%	0.393	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111.1	172	0.8	0	0	0	0	108	S95 I99 T108	S95-T97 PolarHBondContact O-N 2.86Å; T97-I99 PolarHBondContact O-N 2.74Å; T97-T108 PolarHBondContact N-O 3.21Å; T97-T108 PolarHBondContact O-N 3.45Å; T97-T108 PolarHBondContact OG1-O 2.95Å; T97-T108 VanDerWaalsContact OG1-O 3.11Å
98	T	47.3	Very low	62.5	Low	89 Å²	89	72.8 Å²	72.8	55%	0.546	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	104	175.1	-46.4	0	0	0	0	108.7	T105	T98-T105 HydrophobicContact CG2-CG2 3.12Å
99	I	56.7	Low	60.7	Low	85 Å²	85	78.7 Å²	78.7	44%	0.436	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	109.9	174.8	-55	178.2	0	0	0	107.2	T97 T101 I106 T108	T97-I99 PolarHBondContact O-N 2.74Å; I99-T101 HydrophobicContact CG2-CG2 3.91Å; I99-T101 PolarHBondContact O-N 2.75Å; I99-I106 PolarHBondContact N-O 2.86Å; I99-I106 PolarHBondContact O-N 2.99Å; I99-T108 WeakPolarHBondContact CD1-OG1 3.4Å
100	Q	48.2	Very low	58.8	Low	170 Å²	170	82.4 Å²	82.4	79%	0.794	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	113.9	168.7	-71.7	-176.8	1.5	0	0	108.3
101	T	59.8	Low	57.1	Low	60 Å²	60	86.4 Å²	86.4	37%	0.368	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	161.1	169.7	66.4	0	0	0	0	109.7	I99 D103 G104 I106	I99-T101 HydrophobicContact CG2-CG2 3.91Å; I99-T101 PolarHBondContact O-N 2.75Å; T101-D103 PolarHBondContact O-N 3.32Å; T101-D103 VanDerWaalsContact O-N 3.08Å; T101-G104 PolarHBondContact N-O 2.79Å; T101-G104 PolarHBondContact O-N 2.77Å; T101-G104 PolarHBondContact OG1-O 3.04Å; T101-I106 HydrophobicContact CG2-CD1 3.83Å; T101-I106 HydrophobicContact CG2-CG1 4.25Å
102	V	57.8	Low	56.1	Low	154 Å²	154	87.8 Å²	87.8	93%	0.933	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.3	-175.2	-152.3	0	0	0	0	112.5
103	D	50.5	Low	55.7	Low	167 Å²	167	87.5 Å²	87.5	89%	0.893	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	8.3	179.4	-63.8	-45.6	0	0	0	113.9	T101	T101-D103 PolarHBondContact O-N 3.32Å; T101-D103 VanDerWaalsContact O-N 3.08Å
104	G	49.8	Very low	56.3	Low	36 Å²	36	91.9 Å²	91.9	37%	0.371	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.2	172.2	176.5	0	0	0	0	0	115.1	T101	T101-G104 PolarHBondContact N-O 2.79Å; T101-G104 PolarHBondContact O-N 2.77Å; T101-G104 PolarHBondContact OG1-O 3.04Å
105	T	52.8	Low	57.6	Low	90 Å²	90	88.6 Å²	88.6	55%	0.552	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	112.9	-179.5	-54.3	0	0	0	0	110.9	T98	T98-T105 HydrophobicContact CG2-CG2 3.12Å
106	I	50.1	Low	59.2	Low	92 Å²	92	88.8 Å²	88.8	47%	0.472	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	110	174	-55.8	179.1	0	0	0	108.7	I99 T101 T108	I99-I106 PolarHBondContact N-O 2.86Å; I99-I106 PolarHBondContact O-N 2.99Å; T101-I106 HydrophobicContact CG2-CD1 3.83Å; T101-I106 HydrophobicContact CG2-CG1 4.25Å; I106-T108 PolarHBondContact O-N 2.9Å
107	I	50.5	Low	60.7	Low	105 Å²	105	83.3 Å²	83.3	54%	0.538	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	109.4	171.4	-58	172.3	0	0	0	107.6	E96	E96-I107 HydrophobicContact CB-CG2 4.38Å; E96-I107 HydrophobicContact CG-CG2 4.38Å
108	T	48.5	Very low	62.4	Low	54 Å²	54	84 Å²	84	33%	0.331	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	108.9	175.8	-43.2	0	0	0	0	108.9	T97 I99 I106 L110	T97-T108 PolarHBondContact N-O 3.21Å; T97-T108 PolarHBondContact O-N 3.45Å; T97-T108 PolarHBondContact OG1-O 2.95Å; T97-T108 VanDerWaalsContact OG1-O 3.11Å; I99-T108 WeakPolarHBondContact CD1-OG1 3.4Å; I106-T108 PolarHBondContact O-N 2.9Å; T108-L110 PolarHBondContact O-N 2.8Å
109	Q	51.3	Low	63.9	Low	132 Å²	132	83.4 Å²	83.4	62%	0.617	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	102.9	173.6	-81.9	-177.4	-11.2	0	0	110	S95 E96	S95-Q109 WeakPolarHBondContact O-CA 3.5Å; E96-Q109 HydrophobicContact CG-CG 3.9Å; E96-Q109 PolarHBondContact OE1-NE2 2.77Å
110	L	52.8	Low	65.1	Low	102 Å²	102	80.6 Å²	80.6	53%	0.534	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	110.2	168.1	-77.5	159.2	0	0	0	107.9	S95 T108 S112	S95-L110 PolarHBondContact N-O 2.82Å; S95-L110 PolarHBondContact O-N 3.34Å; T108-L110 PolarHBondContact O-N 2.8Å; L110-S112 PolarHBondContact O-N 2.84Å
111	S	55.9	Low	66.5	Low	83 Å²	83	76.2 Å²	76.2	58%	0.58	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	85.7	176.8	44	0	0	0	0	110.3	G113	S111-G113 PolarHBondContact O-N 2.9Å
112	S	69.9	Low	67.2	Low	68 Å²	68	80.3 Å²	80.3	48%	0.476	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	104.8	175.4	-56	0	0	0	0	109.3	G93 L110	G93-S112 WeakPolarHBondContact CA-O 3.32Å; G93-S112 PolarHBondContact N-O 3.48Å; G93-S112 PolarHBondContact O-N 3.31Å; L110-S112 PolarHBondContact O-N 2.84Å
113	G	80.1	Confident	67.7	Low	9 Å²	9	74.8 Å²	74.8	9%	0.093	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.7	-179.3	0	0	0	0	0	113	E91 S111 I136	E91-G113 CarbonylContact O-C 3.56Å; E91-G113 WeakPolarHBondContact O-CA 3.35Å; S111-G113 PolarHBondContact O-N 2.9Å; G113-I136 WeakPolarHBondContact O-CD1 3.4Å
114	R	86.7	Confident	68.4	Low	120 Å²	120	68.4 Å²	68.4	45%	0.453	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.1	174	-168.2	176.2	-172.3	178.8	5.4	111.6	V90 E91 Y116	V90-R114 CarbonylContact C-O 3.45Å; V90-R114 WeakPolarHBondContact CA-O 3.37Å; E91-R114 HydrophobicContact CB-CB 4.42Å; E91-R114 PolarHBondContact N-O 2.66Å; E91-R114 PolarHBondContact O-N 2.92Å; R114-Y116 HydrophobicContact CB-CE2 4.46Å; R114-Y116 HydrophobicContact CG-CE2 4.22Å
115	C	88	Confident	69	Low	8 Å²	8	72.4 Å²	72.4	5%	0.054	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.2	176.8	-176	0	0	0	0	111.5	V90 V117 C120 I136	V90-C115 HydrophobicContact CG2-CB 4.42Å; C115-V117 PolarHBondContact O-N 3.3Å; C115-V117 VanDerWaalsContact SG-CG2 3.59Å; C115-C120 HydrophobicContact CB-CB 3.91Å; C115-I136 HydrophobicContact CB-CD1 4.24Å; C115-I136 HydrophobicContact CB-CG1 4.18Å
116	Y	86.9	Confident	69.5	Low	59 Å²	59	75.5 Å²	75.5	23%	0.231	41%	0.414	C	S	.	.			trans	-86.5	15.3	-178.6	-68.7	-96.4	0	0	0	113.7	F89 E91 R114 S200 L201	F89-Y116 HydrophobicContact CB-CD2 4.24Å; F89-Y116 WeakPolarHBondContact O-CB 3.28Å; F89-Y116 PolarHBondContact O-N 3.1Å; E91-Y116 HydrophobicContact CB-CE2 3.83Å; E91-Y116 PolarHBondContact OE2-OH 3.31Å; R114-Y116 HydrophobicContact CB-CE2 4.46Å; R114-Y116 HydrophobicContact CG-CE2 4.22Å; Y116-S200 WeakPolarHBondContact CE1-OG 3.26Å; Y116-L201 HydrophobicContact CD2-CD1 3.91Å; Y116-L201 HydrophobicContact CE1-CD1 4.47Å; Y116-L201 HydrophobicContact CE1-CG 4.3Å; Y116-L201 HydrophobicContact CE2-CD1 3.72Å; Y116-L201 HydrophobicContact CE2-CD2 4.03Å; Y116-L201 HydrophobicContact CE2-CG 4.11Å; Y116-L201 HydrophobicContact CG-CD1 4.38Å; Y116-L201 WeakPolarHBondContact OH-CD2 3.41Å
117	V	85.1	Confident	69.7	Low	2 Å²	2	74.3 Å²	74.3	1%	0.012	43%	0.425	C	S	.	.			trans	-77.9	128.8	172.3	179.2	0	0	0	0	109.1	Q79 C88 C115 S119 C120 L121	Q79-V117 HydrophobicContact CG-CG2 4.43Å; C88-V117 HydrophobicContact CB-CG2 3.42Å; C88-V117 VanDerWaalsContact CB-CG2 3.42Å; C88-V117 WeakPolarHBondContact SG-CG2 3.37Å; C115-V117 PolarHBondContact O-N 3.3Å; C115-V117 VanDerWaalsContact SG-CG2 3.59Å; V117-S119 VanDerWaalsContact C-N 3.26Å; V117-S119 VanDerWaalsContact CG1-OG 3.3Å; V117-S119 WeakPolarHBondContact CG1-OG 3.42Å; V117-S119 PolarHBondContact O-N 3.17Å; V117-S119 VanDerWaalsContact O-N 3.13Å; V117-C120 HydrophobicContact CB-CB 4.13Å; V117-C120 PolarHBondContact O-N 2.95Å; V117-L121 PolarHBondContact O-N 3.38Å
118	P	80.8	Confident	69.9	Low	79 Å²	79	73.8 Å²	73.8	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-56	-34.8	-176.7	-28.7	35	0	0	0	114.9	K122	P118-K122 WeakPolarHBondContact O-CB 3.37Å; P118-K122 VanDerWaalsContact O-CG 3.28Å; P118-K122 WeakPolarHBondContact O-CG 3.35Å; P118-K122 PolarHBondContact O-N 3.5Å; P118-K122 VanDerWaalsContact O-N 3.13Å
119	S	80.3	Confident	70.1	Confident	77 Å²	77	76.8 Å²	76.8	54%	0.538	45%	0.445	S	S	.	.	H	α-helix	trans	-71.1	-37.4	176.1	51.1	0	0	0	0	112.6	V117 A123	V117-S119 VanDerWaalsContact C-N 3.26Å; V117-S119 VanDerWaalsContact CG1-OG 3.3Å; V117-S119 WeakPolarHBondContact CG1-OG 3.42Å; V117-S119 PolarHBondContact O-N 3.17Å; V117-S119 VanDerWaalsContact O-N 3.13Å; S119-A123 PolarHBondContact O-N 3.25Å
120	C	81.8	Confident	70.3	Confident	26 Å²	26	76.2 Å²	76.2	18%	0.176	44%	0.442	C	S	.	.	H	α-helix	trans	-69.9	-40.3	175.6	-64	0	0	0	0	111.3	C115 V117 A123 A124 H135	C115-C120 HydrophobicContact CB-CB 3.91Å; V117-C120 HydrophobicContact CB-CB 4.13Å; V117-C120 PolarHBondContact O-N 2.95Å; C120-A123 PolarHBondContact O-N 3.02Å; C120-A124 PolarHBondContact O-N 2.81Å; C120-H135 PolarHBondContact SG-ND1 2.92Å
121	L	77.4	Confident	70.3	Confident	77 Å²	77	76.3 Å²	76.3	40%	0.403	44%	0.443	S	S	.	.	H	α-helix	trans	-63.9	-42.7	178.4	-167.4	67.6	0	0	0	111.7	V117 A124 T125	V117-L121 PolarHBondContact O-N 3.38Å; L121-A124 PolarHBondContact O-N 3.35Å; L121-T125 PolarHBondContact O-N 3.3Å; L121-T125 VanDerWaalsContact O-N 3.13Å; L121-T125 PolarHBondContact O-OG1 3.24Å
122	K	73.5	Confident	70.9	Confident	146 Å²	146	77.8 Å²	77.8	64%	0.635	44%	0.441	S	S	*	.	H	α-helix	trans	-63.5	-38.4	175	-75.3	179.2	-179.5	-169.4	0	113.2	P118 T125 Q126	P118-K122 WeakPolarHBondContact O-CB 3.37Å; P118-K122 VanDerWaalsContact O-CG 3.28Å; P118-K122 WeakPolarHBondContact O-CG 3.35Å; P118-K122 PolarHBondContact O-N 3.5Å; P118-K122 VanDerWaalsContact O-N 3.13Å; K122-T125 PolarHBondContact O-N 2.77Å; K122-T125 PolarHBondContact O-OG1 3.07Å; K122-Q126 WeakPolarHBondContact O-CG 3.38Å; K122-Q126 PolarHBondContact O-N 3.49Å
123	A	68.6	Low	71.4	Confident	39 Å²	39	76.3 Å²	76.3	32%	0.322	43%	0.43	S	S	.	.	H	α-helix	trans	-67.2	-39	177.2	0	0	0	0	0	111.5	S119 C120 T125 Q126	S119-A123 PolarHBondContact O-N 3.25Å; C120-A123 PolarHBondContact O-N 3.02Å; A123-T125 VanDerWaalsContact C-N 3.34Å; A123-T125 PolarHBondContact O-N 3.09Å; A123-Q126 PolarHBondContact O-N 2.77Å
124	A	65.7	Low	71.6	Confident	32 Å²	32	80.9 Å²	80.9	26%	0.264	45%	0.449	S	S	.	.	H	α-helix	trans	-63.5	-38.3	174.9	0	0	0	0	0	112.1	C120 L121 Q126 G127 E130	C120-A124 PolarHBondContact O-N 2.81Å; L121-A124 PolarHBondContact O-N 3.35Å; A124-Q126 PolarHBondContact O-N 2.85Å; A124-G127 PolarHBondContact O-N 3.17Å; A124-E130 HydrophobicContact CB-CG 4.35Å
125	T	63.3	Low	71.7	Confident	120 Å²	120	76.3 Å²	76.3	74%	0.736	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15.1	177.3	-6.1	0	0	0	0	113.8	L121 K122 A123	L121-T125 PolarHBondContact O-N 3.3Å; L121-T125 VanDerWaalsContact O-N 3.13Å; L121-T125 PolarHBondContact O-OG1 3.24Å; K122-T125 PolarHBondContact O-N 2.77Å; K122-T125 PolarHBondContact O-OG1 3.07Å; A123-T125 VanDerWaalsContact C-N 3.34Å; A123-T125 PolarHBondContact O-N 3.09Å
126	Q	63	Low	71.7	Confident	155 Å²	155	76.7 Å²	76.7	72%	0.724	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	11.3	179.9	-70.5	177.7	-9.6	0	0	113.4	K122 A123 A124 V128	K122-Q126 WeakPolarHBondContact O-CG 3.38Å; K122-Q126 PolarHBondContact O-N 3.49Å; A123-Q126 PolarHBondContact O-N 2.77Å; A124-Q126 PolarHBondContact O-N 2.85Å; Q126-V128 PolarHBondContact O-N 3.22Å
127	G	54	Low	71.7	Confident	68 Å²	68	77.9 Å²	77.9	70%	0.701	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	9.7	178.2	0	0	0	0	0	114.4	A124 V129	A124-G127 PolarHBondContact O-N 3.17Å; G127-V129 PolarHBondContact O-N 3.11Å
128	V	54.2	Low	71.9	Confident	94 Å²	94	78.7 Å²	78.7	57%	0.57	45%	0.445	S	S	*	.			trans	-71.5	117.5	168.4	-178.6	0	0	0	0	106.9	Q126 E130	Q126-V128 PolarHBondContact O-N 3.22Å; V128-E130 PolarHBondContact O-N 3.3Å
129	V	53.4	Low	72.3	Confident	117 Å²	117	75 Å²	75	71%	0.709	42%	0.42	S	S	*	.			trans	-33.4	113.7	-174.6	-172.9	0	0	0	0	111	G127 N131	G127-V129 PolarHBondContact O-N 3.11Å; V129-N131 HydrophobicContact CG1-CB 4.07Å; V129-N131 PolarHBondContact O-N 2.88Å
130	E	54.7	Low	72.7	Confident	119 Å²	119	75.1 Å²	75.1	56%	0.556	42%	0.418	S	S	*	.			trans	-70.4	69.8	173.4	-161.5	174.6	-143.4	0	0	108.2	A124 V128	A124-E130 HydrophobicContact CB-CG 4.35Å; V128-E130 PolarHBondContact O-N 3.3Å
131	N	53.2	Low	72.9	Confident	105 Å²	105	79.8 Å²	79.8	56%	0.561	44%	0.441	S	S	*	.	S	Bend	trans	-148.4	106.1	169.1	-88.7	-43	0	0	0	109.6	V129	V129-N131 HydrophobicContact CG1-CB 4.07Å; V129-N131 PolarHBondContact O-N 2.88Å
132	Q	68.6	Low	73.5	Confident	113 Å²	113	77.1 Å²	77.1	53%	0.528	43%	0.429	S	S	.	.			trans	81	54.5	160.1	-43.3	172.3	37.1	0	0	116.2	K137	Q132-K137 HydrophobicContact CB-CD 4.19Å; Q132-K137 HydrophobicContact CB-CG 3.75Å; Q132-K137 VanDerWaalsContact O-CE 3.26Å; Q132-K137 WeakPolarHBondContact O-CE 3.18Å
133	C	80.1	Confident	74.2	Confident	38 Å²	38	79.4 Å²	79.4	26%	0.257	44%	0.442	S	S	.	.			trans	-54	152.6	155	82.9	0	0	0	0	109.2	H135 I136 K137	C133-H135 PolarHBondContact O-N 3.38Å; C133-I136 PolarHBondContact O-N 3.11Å; C133-I136 PolarHBondContact SG-N 3.41Å; C133-I136 VanDerWaalsContact SG-N 3.44Å; C133-K137 PolarHBondContact O-N 3.22Å; C133-K137 VanDerWaalsContact O-N 3.09Å
134	Q	85.1	Confident	75.3	Confident	104 Å²	104	79.2 Å²	79.2	49%	0.486	44%	0.44	S	S	.	.	H	α-helix	trans	-53.4	-32.4	-177.5	-175.7	62.7	29.8	0	0	111.8	K137 L138	Q134-K137 PolarHBondContact O-N 2.74Å; Q134-L138 HydrophobicContact CG-CD1 4.32Å; Q134-L138 HydrophobicContact CG-CG 4.5Å; Q134-L138 VanDerWaalsContact O-CG 3.23Å; Q134-L138 WeakPolarHBondContact O-CG 2.92Å; Q134-L138 PolarHBondContact O-N 3.42Å
135	H	88.4	Confident	76.6	Confident	25 Å²	25	83.1 Å²	83.1	12%	0.116	45%	0.453	C	S	.	.	H	α-helix	trans	-66.9	-40.1	177.7	-48.9	113.1	0	0	0	113.2	V77 V90 C120 C133 L138 A139	V77-H135 HydrophobicContact CG1-CB 4.11Å; V90-H135 HydrophobicContact CG2-CB 3.84Å; C120-H135 PolarHBondContact SG-ND1 2.92Å; C133-H135 PolarHBondContact O-N 3.38Å; H135-L138 PolarHBondContact O-N 3.13Å; H135-A139 PolarHBondContact O-N 3.35Å
136	I	87.8	Confident	78.1	Confident	16 Å²	16	77.6 Å²	77.6	8%	0.082	42%	0.42	C	S	.	.	H	α-helix	trans	-66.3	-43.1	175.2	-66.9	161.8	0	0	0	109.9	V90 L92 G113 C115 C133 L138 A139 V140	V90-I136 HydrophobicContact CG1-CG1 3.97Å; L92-I136 HydrophobicContact CD2-CG2 4.09Å; G113-I136 WeakPolarHBondContact O-CD1 3.4Å; C115-I136 HydrophobicContact CB-CD1 4.24Å; C115-I136 HydrophobicContact CB-CG1 4.18Å; C133-I136 PolarHBondContact O-N 3.11Å; C133-I136 PolarHBondContact SG-N 3.41Å; C133-I136 VanDerWaalsContact SG-N 3.44Å; I136-L138 VanDerWaalsContact C-N 3.26Å; I136-L138 PolarHBondContact O-N 3.14Å; I136-A139 PolarHBondContact O-N 3.47Å; I136-A139 VanDerWaalsContact O-N 3.11Å; I136-V140 HydrophobicContact CG2-CG2 4.22Å; I136-V140 WeakPolarHBondContact O-CG2 3.45Å; I136-V140 PolarHBondContact O-N 3.42Å
137	K	86.8	Confident	79.7	Confident	84 Å²	84	74.2 Å²	74.2	37%	0.365	41%	0.41	S	S	.	.	H	α-helix	trans	-57.4	-40.4	175.2	-65	-176.2	177	-178.5	0	112.3	Q132 C133 Q134 N141	Q132-K137 HydrophobicContact CB-CD 4.19Å; Q132-K137 HydrophobicContact CB-CG 3.75Å; Q132-K137 VanDerWaalsContact O-CE 3.26Å; Q132-K137 WeakPolarHBondContact O-CE 3.18Å; C133-K137 PolarHBondContact O-N 3.22Å; C133-K137 VanDerWaalsContact O-N 3.09Å; Q134-K137 PolarHBondContact O-N 2.74Å; K137-N141 WeakPolarHBondContact O-CB 3.5Å; K137-N141 PolarHBondContact O-N 3.03Å; K137-N141 VanDerWaalsContact O-N 3.14Å; K137-N141 PolarHBondContact O-ND2 3.44Å; K137-N141 VanDerWaalsContact O-ND2 3.13Å
138	L	88.8	Confident	81.7	Confident	19 Å²	19	74.3 Å²	74.3	10%	0.099	40%	0.398	C	S	.	.	H	α-helix	trans	-69.3	-37.6	177.3	-69.5	175.1	0	0	0	112.3	E62 A63 V77 Q134 H135 I136 C142	E62-L138 HydrophobicContact CB-CD1 4.38Å; E62-L138 HydrophobicContact CB-CD2 4.06Å; E62-L138 WeakPolarHBondContact OE2-CD2 3.07Å; A63-L138 HydrophobicContact CB-CB 4.24Å; A63-L138 VanDerWaalsContact CB-O 3.26Å; A63-L138 WeakPolarHBondContact CB-O 3.33Å; V77-L138 HydrophobicContact CG1-CB 3.74Å; V77-L138 HydrophobicContact CG1-CD1 3.74Å; V77-L138 HydrophobicContact CG1-CG 4.4Å; Q134-L138 HydrophobicContact CG-CD1 4.32Å; Q134-L138 HydrophobicContact CG-CG 4.5Å; Q134-L138 VanDerWaalsContact O-CG 3.23Å; Q134-L138 WeakPolarHBondContact O-CG 2.92Å; Q134-L138 PolarHBondContact O-N 3.42Å; H135-L138 PolarHBondContact O-N 3.13Å; I136-L138 VanDerWaalsContact C-N 3.26Å; I136-L138 PolarHBondContact O-N 3.14Å; L138-C142 WeakPolarHBondContact O-CB 3.28Å; L138-C142 PolarHBondContact O-N 3Å
139	A	90.1	Very high	83.6	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-65.8	-45.1	174.9	0	0	0	0	0	111.9	Y75 V77 V90 L92 H135 I136 N141 C142	Y75-A139 HydrophobicContact CD1-CB 4.32Å; Y75-A139 HydrophobicContact CD2-CB 3.94Å; Y75-A139 WeakPolarHBondContact CE1-O 3.42Å; Y75-A139 HydrophobicContact CG-CB 3.77Å; V77-A139 HydrophobicContact CG2-CB 4.12Å; V90-A139 HydrophobicContact CB-CB 3.98Å; V90-A139 HydrophobicContact CG1-CB 3.66Å; L92-A139 HydrophobicContact CD1-CB 4.11Å; L92-A139 HydrophobicContact CD2-CB 4.24Å; L92-A139 HydrophobicContact CG-CB 4.28Å; H135-A139 PolarHBondContact O-N 3.35Å; I136-A139 PolarHBondContact O-N 3.47Å; I136-A139 VanDerWaalsContact O-N 3.11Å; A139-N141 VanDerWaalsContact C-N 3.32Å; A139-N141 PolarHBondContact O-N 3.17Å; A139-C142 WeakPolarHBondContact O-CB 3.43Å; A139-C142 PolarHBondContact O-N 3.23Å; A139-C142 VanDerWaalsContact O-N 3.11Å
140	V	87.9	Confident	85.4	Confident	80 Å²	80	69.5 Å²	69.5	49%	0.485	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-40.7	178.5	171.8	0	0	0	0	111.5	L92 I136 C142	L92-V140 HydrophobicContact CD1-CG2 3.85Å; L92-V140 HydrophobicContact CD2-CG2 4.1Å; I136-V140 HydrophobicContact CG2-CG2 4.22Å; I136-V140 WeakPolarHBondContact O-CG2 3.45Å; I136-V140 PolarHBondContact O-N 3.42Å; V140-C142 PolarHBondContact O-N 2.8Å
141	N	87	Confident	87.2	Confident	124 Å²	124	65.9 Å²	65.9	66%	0.663	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	9	179	-64.7	-33.5	0	0	0	113.4	K137 A139 Q143	K137-N141 WeakPolarHBondContact O-CB 3.5Å; K137-N141 PolarHBondContact O-N 3.03Å; K137-N141 VanDerWaalsContact O-N 3.14Å; K137-N141 PolarHBondContact O-ND2 3.44Å; K137-N141 VanDerWaalsContact O-ND2 3.13Å; A139-N141 VanDerWaalsContact C-N 3.32Å; A139-N141 PolarHBondContact O-N 3.17Å; N141-Q143 PolarHBondContact O-N 3.3Å
142	C	89.4	Confident	89	Confident	21 Å²	21	66 Å²	66	14%	0.142	35%	0.348	C	S	.	.			trans	-78.1	122.9	-175.7	-178.9	0	0	0	0	111.4	A63 Y75 L138 A139 V140 A144	A63-C142 HydrophobicContact CB-CB 3.71Å; A63-C142 PolarHBondContact O-SG 3.17Å; Y75-C142 HydrophobicContact CD1-CB 3.64Å; Y75-C142 HydrophobicContact CE1-CB 3.58Å; L138-C142 WeakPolarHBondContact O-CB 3.28Å; L138-C142 PolarHBondContact O-N 3Å; A139-C142 WeakPolarHBondContact O-CB 3.43Å; A139-C142 PolarHBondContact O-N 3.23Å; A139-C142 VanDerWaalsContact O-N 3.11Å; V140-C142 PolarHBondContact O-N 2.8Å; C142-A144 PolarHBondContact SG-O 2.91Å
143	Q	88.1	Confident	90.1	Very high	194 Å²	194	63 Å²	63	91%	0.907	34%	0.34	S	S	*	.			trans	-108.7	-10.7	172.8	-63	180	-9.2	0	0	113.1	N141	N141-Q143 PolarHBondContact O-N 3.3Å
144	A	91.6	Very high	90.7	Very high	36 Å²	36	65.1 Å²	65.1	30%	0.298	36%	0.355	S	S	.	.			trans	-82.9	140.2	179	0	0	0	0	0	110.7	V61 V64 K65 C142	V61-A144 HydrophobicContact CG1-CB 3.76Å; V64-A144 WeakPolarHBondContact CA-O 3.4Å; V64-A144 HydrophobicContact CG2-CB 4.32Å; K65-A144 PolarHBondContact N-O 3.13Å; C142-A144 PolarHBondContact SG-O 2.91Å
145	E	93.7	Very high	91	Very high	114 Å²	114	61.5 Å²	61.5	53%	0.533	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-118.5	148.5	175.6	-171.5	164.8	-144.7	0	0	110.4	K65 I67	K65-E145 CarbonylContact O-C 3.59Å; I67-E145 HydrophobicContact CD1-CG 4.29Å; I67-E145 HydrophobicContact CG1-CG 3.93Å
146	A	95.3	Very high	91.1	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.033	34%	0.335	C	S	.	.			trans	-68.5	144.5	-179.8	0	0	0	0	0	110.6	V64 K65 I67 P148 Q182 R183 I184	V64-A146 HydrophobicContact CG1-CB 3.96Å; V64-A146 VanDerWaalsContact CG1-N 3.32Å; K65-A146 WeakPolarHBondContact O-CB 3.16Å; K65-A146 PolarHBondContact O-N 3.13Å; I67-A146 VanDerWaalsContact CD1-O 3.27Å; I67-A146 WeakPolarHBondContact CD1-O 3.39Å; A146-P148 WeakPolarHBondContact O-CD 3.48Å; A146-Q182 HydrophobicContact CB-CB 4.04Å; A146-R183 WeakPolarHBondContact CA-O 3.38Å; A146-I184 HydrophobicContact CB-CD1 3.64Å
147	T	95.8	Very high	91.2	Very high	84 Å²	84	64.6 Å²	64.6	52%	0.515	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	115.9	177.9	-47.4	0	0	0	0	109.7	Q182 R183	T147-Q182 CarbonylContact O-C 3.55Å; T147-Q182 VanDerWaalsContact O-CA 3.27Å; T147-Q182 WeakPolarHBondContact O-CA 3.28Å; T147-R183 PolarHBondContact N-O 3.13Å; T147-R183 PolarHBondContact O-N 3.29Å
148	P	95.2	Very high	91.3	Very high	69 Å²	69	64.3 Å²	64.3	45%	0.448	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	138.4	177.1	27.8	-32.6	0	0	0	110.3	I67 A146 P179	I67-P148 HydrophobicContact CD1-CB 4.46Å; I67-P148 HydrophobicContact CD1-CG 4.16Å; A146-P148 WeakPolarHBondContact O-CD 3.48Å; P148-P179 HydrophobicContact CB-CB 3.71Å; P148-P179 HydrophobicContact CB-CG 3.88Å
149	L	94.8	Very high	91.1	Very high	21 Å²	21	64.4 Å²	64.4	11%	0.11	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.1	173.7	-55.6	-168.8	0	0	0	109.7	V181 R183 L189 A254 F255 L261	L149-V181 HydrophobicContact CB-CB 4.28Å; L149-V181 HydrophobicContact CB-CG1 4.44Å; L149-V181 HydrophobicContact CD1-CG1 3.83Å; L149-V181 HydrophobicContact CG-CG1 4.31Å; L149-V181 PolarHBondContact N-O 3.18Å; L149-R183 HydrophobicContact CD2-CB 4.23Å; L149-L189 HydrophobicContact CD1-CD2 3.56Å; L149-A254 HydrophobicContact CB-CB 3.92Å; L149-A254 HydrophobicContact CD1-CB 4.16Å; L149-F255 HydrophobicContact CD1-CD1 4.31Å; L149-F255 HydrophobicContact CD1-CE1 4.08Å; L149-L261 HydrophobicContact CD1-CD1 3.94Å; L149-L261 HydrophobicContact CD2-CD1 3.7Å; L149-L261 HydrophobicContact CG-CD1 4.33Å
150	T	91.6	Very high	90.9	Very high	90 Å²	90	69 Å²	69	55%	0.552	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-77.7	148.7	178.9	60.1	0	0	0	0	110.6	S257	T150-S257 WeakPolarHBondContact O-CB 3.37Å
151	L	91.6	Very high	90.7	Very high	42 Å²	42	66.3 Å²	66.3	22%	0.22	38%	0.378	C	S	.	.			trans	-126.1	118	177.3	-173.4	154.3	0	0	0	108.6	L156 I169 L180 C253	L151-L156 HydrophobicContact CD2-CB 4.17Å; L151-L156 HydrophobicContact CD2-CD2 4.31Å; L151-I169 HydrophobicContact CD1-CG2 3.91Å; L151-L180 HydrophobicContact CD1-CD2 3.9Å; L151-C253 HydrophobicContact CD1-CB 4.02Å; L151-C253 HydrophobicContact CG-CB 4.39Å; L151-C253 VanDerWaalsContact CG-SG 3.55Å
152	K	91.9	Very high	90.7	Very high	108 Å²	108	62.7 Å²	62.7	47%	0.47	36%	0.363	S	S	.	.			trans	-88	130.6	176.7	-71.9	173.2	179.5	158.8	0	110	S154 V155 L156 S257	K152-S154 VanDerWaalsContact C-N 3.26Å; K152-S154 PolarHBondContact O-N 3.01Å; K152-V155 HydrophobicContact CB-CB 4.36Å; K152-V155 HydrophobicContact CB-CG2 3.95Å; K152-V155 PolarHBondContact O-N 2.89Å; K152-V155 VanDerWaalsContact O-N 3.1Å; K152-L156 PolarHBondContact O-N 2.85Å; K152-L156 VanDerWaalsContact O-N 3.17Å; K152-S257 WeakPolarHBondContact CD-O 3.47Å; K152-S257 VanDerWaalsContact CE-O 3.26Å; K152-S257 WeakPolarHBondContact CE-O 3.26Å; K152-S257 PolarHBondContact N-OG 2.9Å; K152-S257 PolarHBondContact NZ-O 2.77Å
153	S	91.4	Very high	90.6	Very high	51 Å²	51	66.1 Å²	66.1	36%	0.357	39%	0.385	S	S	.	.	H	α-helix	trans	-59	-37.1	178.4	-174.8	0	0	0	0	112.5	V155 L156 N157	S153-V155 VanDerWaalsContact C-N 3.3Å; S153-V155 PolarHBondContact O-N 2.78Å; S153-L156 PolarHBondContact O-N 2.79Å; S153-N157 WeakPolarHBondContact O-CB 3.21Å; S153-N157 VanDerWaalsContact O-CG 3.27Å; S153-N157 PolarHBondContact O-N 2.81Å; S153-N157 PolarHBondContact O-ND2 3.35Å; S153-N157 VanDerWaalsContact O-ND2 3.11Å
154	S	91.7	Very high	90.7	Very high	81 Å²	81	62.6 Å²	62.6	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-58.1	-40.6	175.3	52.1	0	0	0	0	112.8	K152 N157 A158	K152-S154 VanDerWaalsContact C-N 3.26Å; K152-S154 PolarHBondContact O-N 3.01Å; S154-N157 PolarHBondContact O-N 3Å; S154-A158 WeakPolarHBondContact O-CB 3.34Å; S154-A158 PolarHBondContact O-N 3.11Å
155	V	91.9	Very high	90.6	Very high	28 Å²	28	62 Å²	62	17%	0.17	36%	0.361	C	S	.	.	H	α-helix	trans	-70.2	-42.6	178.5	177.5	0	0	0	0	111	K152 S153 N157 A158 M159 A256	K152-V155 HydrophobicContact CB-CB 4.36Å; K152-V155 HydrophobicContact CB-CG2 3.95Å; K152-V155 PolarHBondContact O-N 2.89Å; K152-V155 VanDerWaalsContact O-N 3.1Å; S153-V155 VanDerWaalsContact C-N 3.3Å; S153-V155 PolarHBondContact O-N 2.78Å; V155-N157 VanDerWaalsContact C-N 3.28Å; V155-N157 PolarHBondContact O-N 2.77Å; V155-A158 PolarHBondContact O-N 2.87Å; V155-M159 WeakPolarHBondContact O-CB 3.25Å; V155-M159 PolarHBondContact O-N 3.48Å; V155-A256 HydrophobicContact CG1-CB 3.56Å
156	L	90.6	Very high	90.5	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-59.9	-41.3	176.2	-177.2	60.9	0	0	0	111.8	L151 K152 S153 M159 K166 I169 W170 C253	L151-L156 HydrophobicContact CD2-CB 4.17Å; L151-L156 HydrophobicContact CD2-CD2 4.31Å; K152-L156 PolarHBondContact O-N 2.85Å; K152-L156 VanDerWaalsContact O-N 3.17Å; S153-L156 PolarHBondContact O-N 2.79Å; L156-M159 HydrophobicContact CD1-CE 3.79Å; L156-K166 HydrophobicContact CD1-CB 4.46Å; L156-K166 HydrophobicContact CD1-CG 4.39Å; L156-K166 WeakPolarHBondContact O-CE 3.38Å; L156-I169 HydrophobicContact CD1-CB 4.03Å; L156-I169 HydrophobicContact CD1-CD1 4.25Å; L156-I169 HydrophobicContact CD1-CG2 3.62Å; L156-I169 HydrophobicContact CD2-CG2 4.15Å; L156-W170 HydrophobicContact CD2-CB 4.01Å; L156-W170 HydrophobicContact CD2-CE3 4.02Å; L156-C253 VanDerWaalsContact CA-SG 3.55Å
157	N	89.6	Confident	90.3	Very high	103 Å²	103	64.2 Å²	64.2	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-68.8	-40.1	178.3	-69.5	-31.7	0	0	0	111.8	S153 S154 V155 K166	S153-N157 WeakPolarHBondContact O-CB 3.21Å; S153-N157 VanDerWaalsContact O-CG 3.27Å; S153-N157 PolarHBondContact O-N 2.81Å; S153-N157 PolarHBondContact O-ND2 3.35Å; S153-N157 VanDerWaalsContact O-ND2 3.11Å; S154-N157 PolarHBondContact O-N 3Å; V155-N157 VanDerWaalsContact C-N 3.28Å; V155-N157 PolarHBondContact O-N 2.77Å; N157-K166 PolarHBondContact O-NZ 2.06Å
158	A	88.4	Confident	90.1	Very high	78 Å²	78	62 Å²	62	65%	0.645	36%	0.356	S	S	*	.	H	α-helix	trans	-74.6	-21.1	178.4	0	0	0	0	0	114.3	S154 V155	S154-A158 WeakPolarHBondContact O-CB 3.34Å; S154-A158 PolarHBondContact O-N 3.11Å; V155-A158 PolarHBondContact O-N 2.87Å
159	M	86.4	Confident	90	Very high	22 Å²	22	58.8 Å²	58.8	11%	0.108	34%	0.335	C	S	.	.	S	Bend	trans	-62.8	142.6	-177.7	-175.1	174.3	66.9	0	0	112.6	V155 L156 A161 K166 I169 F249 I252 C253	V155-M159 WeakPolarHBondContact O-CB 3.25Å; V155-M159 PolarHBondContact O-N 3.48Å; L156-M159 HydrophobicContact CD1-CE 3.79Å; M159-A161 HydrophobicContact CE-CB 3.81Å; M159-A161 PolarHBondContact O-N 2.92Å; M159-A161 VanDerWaalsContact O-N 3.09Å; M159-K166 WeakPolarHBondContact O-CE 3.45Å; M159-K166 PolarHBondContact O-NZ 3.3Å; M159-I169 HydrophobicContact CE-CD1 3.94Å; M159-F249 HydrophobicContact CE-CB 3.84Å; M159-F249 HydrophobicContact CE-CD1 4.21Å; M159-F249 HydrophobicContact CE-CG 4.4Å; M159-F249 HydrophobicContact SD-CB 4.15Å; M159-F249 HydrophobicContact SD-CD1 4.02Å; M159-I252 HydrophobicContact SD-CG2 4.34Å; M159-C253 HydrophobicContact CE-CB 4.47Å; M159-C253 HydrophobicContact SD-CB 4.02Å
160	Q	84.7	Confident	89.9	Confident	97 Å²	97	63.6 Å²	63.6	45%	0.453	35%	0.352	S	S	.	.	S	Bend	trans	-79.1	87.4	172.7	-66.7	-174.6	71.9	0	0	110.7	L276	Q160-L276 HydrophobicContact CG-CD1 4.23Å; Q160-L276 VanDerWaalsContact NE2-CG 3.34Å
161	A	84.9	Confident	89.9	Confident	23 Å²	23	63.6 Å²	63.6	19%	0.19	35%	0.346	C	S	.	.	S	Bend	trans	-147.6	158.6	175	0	0	0	0	0	110.1	M159 T165 K166 F249	M159-A161 HydrophobicContact CE-CB 3.81Å; M159-A161 PolarHBondContact O-N 2.92Å; M159-A161 VanDerWaalsContact O-N 3.09Å; A161-T165 HydrophobicContact CB-CG2 4.13Å; A161-K166 HydrophobicContact CB-CG 4.32Å; A161-K166 WeakPolarHBondContact O-CE 3.47Å; A161-F249 HydrophobicContact CB-CD1 3.97Å; A161-F249 HydrophobicContact CB-CE1 4.07Å; A161-F249 HydrophobicContact CB-CG 4.35Å
162	S	87.1	Confident	89.9	Confident	48 Å²	48	62 Å²	62	34%	0.336	34%	0.337	S	S	.	.			trans	-60.1	149.2	176.8	91.7	0	0	0	0	111	E164 T165 K166	S162-E164 WeakPolarHBondContact CB-OE2 3.5Å; S162-E164 PolarHBondContact O-N 2.82Å; S162-E164 PolarHBondContact OG-OE2 2.88Å; S162-T165 WeakPolarHBondContact O-CB 3.26Å; S162-T165 PolarHBondContact O-N 2.92Å; S162-T165 PolarHBondContact OG-N 2.83Å; S162-T165 PolarHBondContact OG-OG1 2.96Å; S162-K166 PolarHBondContact O-N 3.11Å
163	P	87.4	Confident	89.9	Confident	93 Å²	93	58.6 Å²	58.6	60%	0.604	33%	0.329	S	S	*	.	H	α-helix	trans	-59.8	-34.4	179.8	23.7	-32.1	0	0	0	112.2	T165 K166 Q167	P163-T165 VanDerWaalsContact C-N 3.33Å; P163-T165 PolarHBondContact O-N 3.06Å; P163-K166 PolarHBondContact O-N 3.43Å; P163-Q167 WeakPolarHBondContact O-CB 3.27Å; P163-Q167 PolarHBondContact O-N 3.26Å
164	E	89	Confident	89.8	Confident	119 Å²	119	60 Å²	60	56%	0.556	34%	0.336	S	S	*	.	H	α-helix	trans	-65	-37.9	175.6	-51.5	76.4	-164.6	0	0	111.5	S162 T168	S162-E164 WeakPolarHBondContact CB-OE2 3.5Å; S162-E164 PolarHBondContact O-N 2.82Å; S162-E164 PolarHBondContact OG-OE2 2.88Å; E164-T168 WeakPolarHBondContact O-CB 3.24Å; E164-T168 PolarHBondContact O-N 3.33Å; E164-T168 PolarHBondContact O-OG1 2.83Å
165	T	88.9	Confident	89.6	Confident	23 Å²	23	60 Å²	60	14%	0.141	33%	0.327	C	S	.	.	H	α-helix	trans	-66	-45.8	176.2	-60.2	0	0	0	0	110.5	A161 S162 P163 T168 I169 I246 F249	A161-T165 HydrophobicContact CB-CG2 4.13Å; S162-T165 WeakPolarHBondContact O-CB 3.26Å; S162-T165 PolarHBondContact O-N 2.92Å; S162-T165 PolarHBondContact OG-N 2.83Å; S162-T165 PolarHBondContact OG-OG1 2.96Å; P163-T165 VanDerWaalsContact C-N 3.33Å; P163-T165 PolarHBondContact O-N 3.06Å; T165-T168 PolarHBondContact O-N 3.19Å; T165-I169 HydrophobicContact CG2-CD1 3.84Å; T165-I169 VanDerWaalsContact O-CG1 3.28Å; T165-I169 WeakPolarHBondContact O-CG1 3.41Å; T165-I169 PolarHBondContact O-N 3.27Å; T165-I246 HydrophobicContact CG2-CG2 4.17Å; T165-F249 HydrophobicContact CG2-CB 4.24Å; T165-F249 HydrophobicContact CG2-CD2 3.92Å; T165-F249 HydrophobicContact CG2-CG 4.23Å
166	K	91.4	Very high	89	Confident	48 Å²	48	64.5 Å²	64.5	21%	0.209	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-45.3	176.4	-67.3	-179.2	-179.9	-176.9	0	111.6	L156 N157 M159 A161 S162 P163 T168 I169 W170	L156-K166 HydrophobicContact CD1-CB 4.46Å; L156-K166 HydrophobicContact CD1-CG 4.39Å; L156-K166 WeakPolarHBondContact O-CE 3.38Å; N157-K166 PolarHBondContact O-NZ 2.06Å; M159-K166 WeakPolarHBondContact O-CE 3.45Å; M159-K166 PolarHBondContact O-NZ 3.3Å; A161-K166 HydrophobicContact CB-CG 4.32Å; A161-K166 WeakPolarHBondContact O-CE 3.47Å; S162-K166 PolarHBondContact O-N 3.11Å; P163-K166 PolarHBondContact O-N 3.43Å; K166-T168 VanDerWaalsContact C-N 3.35Å; K166-T168 PolarHBondContact O-N 3.09Å; K166-I169 PolarHBondContact O-N 3.22Å; K166-W170 WeakPolarHBondContact O-CB 3.26Å; K166-W170 PolarHBondContact O-N 3.17Å
167	Q	91.8	Very high	88.6	Confident	117 Å²	117	66.6 Å²	66.6	55%	0.547	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-42	177.9	-171.5	179.9	10.4	0	0	111.8	P163 W170 Q171	P163-Q167 WeakPolarHBondContact O-CB 3.27Å; P163-Q167 PolarHBondContact O-N 3.26Å; Q167-W170 PolarHBondContact O-N 3.15Å; Q167-Q171 WeakPolarHBondContact O-CG 3.38Å; Q167-Q171 PolarHBondContact O-N 3.45Å
168	T	91.3	Very high	88.5	Confident	37 Å²	37	62.7 Å²	62.7	23%	0.227	35%	0.354	C	S	.	.	H	α-helix	trans	-65.2	-43.4	177.4	-57.6	0	0	0	0	111.6	E164 T165 K166 W170 Q171 L172 I246	E164-T168 WeakPolarHBondContact O-CB 3.24Å; E164-T168 PolarHBondContact O-N 3.33Å; E164-T168 PolarHBondContact O-OG1 2.83Å; T165-T168 PolarHBondContact O-N 3.19Å; K166-T168 VanDerWaalsContact C-N 3.35Å; K166-T168 PolarHBondContact O-N 3.09Å; T168-W170 VanDerWaalsContact C-N 3.33Å; T168-W170 PolarHBondContact O-N 3.04Å; T168-Q171 PolarHBondContact O-N 3.36Å; T168-L172 HydrophobicContact CG2-CD1 4.18Å; T168-L172 WeakPolarHBondContact O-CG 3.1Å; T168-L172 PolarHBondContact O-N 3.43Å; T168-I246 HydrophobicContact CG2-CD1 4.15Å
169	I	92.9	Very high	88.7	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-61.7	-43.9	175.7	-70.7	167.5	0	0	0	110.3	L151 L156 M159 T165 K166 L172 A173 L180 F249	L151-I169 HydrophobicContact CD1-CG2 3.91Å; L156-I169 HydrophobicContact CD1-CB 4.03Å; L156-I169 HydrophobicContact CD1-CD1 4.25Å; L156-I169 HydrophobicContact CD1-CG2 3.62Å; L156-I169 HydrophobicContact CD2-CG2 4.15Å; M159-I169 HydrophobicContact CE-CD1 3.94Å; T165-I169 HydrophobicContact CG2-CD1 3.84Å; T165-I169 VanDerWaalsContact O-CG1 3.28Å; T165-I169 WeakPolarHBondContact O-CG1 3.41Å; T165-I169 PolarHBondContact O-N 3.27Å; K166-I169 PolarHBondContact O-N 3.22Å; I169-L172 PolarHBondContact O-N 3.34Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.14Å; I169-A173 PolarHBondContact O-N 2.93Å; I169-L180 HydrophobicContact CG2-CD2 3.85Å; I169-F249 HydrophobicContact CD1-CB 3.66Å
170	W	93.2	Very high	89.1	Confident	123 Å²	123	59.8 Å²	59.8	47%	0.466	33%	0.329	S	S	.	.	H	α-helix	trans	-61.1	-44.5	176.7	-179.8	-101.9	0	0	0	112.5	L156 K166 Q167 T168 L172 A173 T174	L156-W170 HydrophobicContact CD2-CB 4.01Å; L156-W170 HydrophobicContact CD2-CE3 4.02Å; K166-W170 WeakPolarHBondContact O-CB 3.26Å; K166-W170 PolarHBondContact O-N 3.17Å; Q167-W170 PolarHBondContact O-N 3.15Å; T168-W170 VanDerWaalsContact C-N 3.33Å; T168-W170 PolarHBondContact O-N 3.04Å; W170-L172 PolarHBondContact O-N 3.41Å; W170-A173 PolarHBondContact O-N 3.07Å; W170-T174 HydrophobicContact CD2-CG2 4.03Å; W170-T174 HydrophobicContact CE3-CG2 4.49Å; W170-T174 HydrophobicContact CH2-CG2 4.24Å; W170-T174 HydrophobicContact CZ2-CG2 3.74Å; W170-T174 WeakPolarHBondContact O-CB 3.49Å; W170-T174 WeakPolarHBondContact O-CG2 3.49Å; W170-T174 PolarHBondContact O-N 3.42Å; W170-T174 PolarHBondContact O-OG1 3.36Å
171	Q	92.4	Very high	89.6	Confident	89 Å²	89	55.3 Å²	55.3	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-60.3	-46	176.1	-75.8	175.1	-4.2	0	0	111.6	Q167 T168 A173 T174 E175	Q167-Q171 WeakPolarHBondContact O-CG 3.38Å; Q167-Q171 PolarHBondContact O-N 3.45Å; T168-Q171 PolarHBondContact O-N 3.36Å; Q171-A173 VanDerWaalsContact C-N 3.33Å; Q171-A173 PolarHBondContact O-N 2.85Å; Q171-T174 PolarHBondContact O-N 2.91Å; Q171-T174 PolarHBondContact O-OG1 2.89Å; Q171-E175 PolarHBondContact O-N 2.9Å; Q171-E175 VanDerWaalsContact O-N 3.11Å
172	L	91.8	Very high	90.1	Very high	8 Å²	8	54.2 Å²	54.2	4%	0.042	30%	0.299	C	S	.	.	H	α-helix	trans	-68.7	-32.5	178.1	-66.8	169.5	0	0	0	112.2	T168 I169 W170 L180 K192 K194	T168-L172 HydrophobicContact CG2-CD1 4.18Å; T168-L172 WeakPolarHBondContact O-CG 3.1Å; T168-L172 PolarHBondContact O-N 3.43Å; I169-L172 PolarHBondContact O-N 3.34Å; W170-L172 PolarHBondContact O-N 3.41Å; L172-L180 HydrophobicContact CB-CD1 3.57Å; L172-L180 HydrophobicContact CD1-CD1 4.41Å; L172-K192 WeakPolarHBondContact O-CE 3.41Å; L172-K192 PolarHBondContact O-NZ 3.48Å; L172-K194 HydrophobicContact CD2-CG 4.28Å
173	A	90.6	Very high	90.5	Very high	37 Å²	37	54.2 Å²	54.2	31%	0.306	29%	0.292	S	S	.	.	H	α-helix	trans	-72.1	-32.3	177.3	0	0	0	0	0	113.3	I169 W170 Q171 L180	I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.14Å; I169-A173 PolarHBondContact O-N 2.93Å; W170-A173 PolarHBondContact O-N 3.07Å; Q171-A173 VanDerWaalsContact C-N 3.33Å; Q171-A173 PolarHBondContact O-N 2.85Å; A173-L180 HydrophobicContact CB-CB 4.44Å; A173-L180 HydrophobicContact CB-CD2 3.95Å
174	T	89.2	Confident	90.8	Very high	81 Å²	81	50.4 Å²	50.4	50%	0.497	27%	0.267	S	S	.	.	H	α-helix	trans	-90.9	-10.8	-178.9	51.7	0	0	0	0	113.7	W170 Q171	W170-T174 HydrophobicContact CD2-CG2 4.03Å; W170-T174 HydrophobicContact CE3-CG2 4.49Å; W170-T174 HydrophobicContact CH2-CG2 4.24Å; W170-T174 HydrophobicContact CZ2-CG2 3.74Å; W170-T174 WeakPolarHBondContact O-CB 3.49Å; W170-T174 WeakPolarHBondContact O-CG2 3.49Å; W170-T174 PolarHBondContact O-N 3.42Å; W170-T174 PolarHBondContact O-OG1 3.36Å; Q171-T174 PolarHBondContact O-N 2.91Å; Q171-T174 PolarHBondContact O-OG1 2.89Å
175	E	87.3	Confident	90.8	Very high	80 Å²	80	46.4 Å²	46.4	37%	0.374	25%	0.25	S	S	.	.	S	Bend	trans	-62.5	132.8	173.2	-168.6	-171	157.4	0	0	110.7	Q171 T177 K192	Q171-E175 PolarHBondContact O-N 2.9Å; Q171-E175 VanDerWaalsContact O-N 3.11Å; E175-T177 HydrophobicContact CG-CG2 4.45Å; E175-T177 VanDerWaalsContact CG-OG1 3.25Å; E175-T177 WeakPolarHBondContact CG-OG1 3.48Å; E175-T177 PolarHBondContact O-N 3.3Å; E175-T177 PolarHBondContact OE1-OG1 3.25Å; E175-K192 PolarHBondContact O-NZ 3.43Å; E175-K192 VanDerWaalsContact O-NZ 3.09Å
176	P	80.4	Confident	90.7	Very high	124 Å²	124	52 Å²	52	81%	0.805	27%	0.273	S	S	*	.	S	Bend	trans	-65.5	-11	-171.6	26.5	-36.3	0	0	0	114.5	G178	P176-G178 PolarHBondContact O-N 3.16Å
177	T	82.3	Confident	90.5	Very high	47 Å²	47	52 Å²	52	29%	0.288	28%	0.275	S	S	.	.	S	Bend	trans	-81.1	75.2	-174.4	52.1	0	0	0	0	112.6	T68 E175 K192	T68-T177 CarbonylContact O-C 3.33Å; E175-T177 HydrophobicContact CG-CG2 4.45Å; E175-T177 VanDerWaalsContact CG-OG1 3.25Å; E175-T177 WeakPolarHBondContact CG-OG1 3.48Å; E175-T177 PolarHBondContact O-N 3.3Å; E175-T177 PolarHBondContact OE1-OG1 3.25Å; T177-K192 WeakPolarHBondContact O-CD 3.41Å; T177-K192 PolarHBondContact O-NZ 2.77Å; T177-K192 PolarHBondContact OG1-NZ 3.16Å
178	G	86.6	Confident	90.5	Very high	20 Å²	20	46.6 Å²	46.6	21%	0.206	25%	0.25	C	C	.	.	S	Bend	trans	63.1	176.1	172.1	0	0	0	0	0	115.5	T68 P176 K192	T68-G178 PolarHBondContact O-N 2.9Å; P176-G178 PolarHBondContact O-N 3.16Å; G178-K192 PolarHBondContact O-NZ 3.48Å
179	P	92.8	Very high	90.6	Very high	27 Å²	27	44.9 Å²	44.9	18%	0.175	24%	0.239	C	C	.	.			trans	-67.5	143.4	-175.6	29.3	-38.2	0	0	0	112.8	I67 P148 Q182	I67-P179 HydrophobicContact CB-CG 4.06Å; I67-P179 HydrophobicContact CG2-CG 4.28Å; I67-P179 WeakPolarHBondContact O-CD 3.48Å; P148-P179 HydrophobicContact CB-CB 3.71Å; P148-P179 HydrophobicContact CB-CG 3.88Å; P179-Q182 HydrophobicContact CG-CB 4.31Å; P179-Q182 HydrophobicContact CG-CG 3.89Å
180	L	94.6	Very high	90.7	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.068	24%	0.239	C	C	.	.	S	Bend	trans	-64.1	-45.9	177.5	177.3	59.7	0	0	0	112.5	L151 I169 L172 A173 V191 K192 A250	L151-L180 HydrophobicContact CD1-CD2 3.9Å; I169-L180 HydrophobicContact CG2-CD2 3.85Å; L172-L180 HydrophobicContact CB-CD1 3.57Å; L172-L180 HydrophobicContact CD1-CD1 4.41Å; A173-L180 HydrophobicContact CB-CB 4.44Å; A173-L180 HydrophobicContact CB-CD2 3.95Å; L180-V191 HydrophobicContact CD1-CG1 4.32Å; L180-V191 CarbonylContact O-C 3.57Å; L180-V191 VanDerWaalsContact O-CA 3.32Å; L180-V191 WeakPolarHBondContact O-CA 3.42Å; L180-K192 HydrophobicContact CD1-CB 3.99Å; L180-K192 PolarHBondContact O-N 3.41Å; L180-A250 HydrophobicContact CD2-CB 4.15Å; L180-A250 HydrophobicContact CG-CB 4.43Å
181	V	95.8	Very high	90.8	Very high	2 Å²	2	39 Å²	39	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.8	178.8	-173.5	0	0	0	0	108.3	L149 L189 V190 V191 A250 A254	L149-V181 HydrophobicContact CB-CB 4.28Å; L149-V181 HydrophobicContact CB-CG1 4.44Å; L149-V181 HydrophobicContact CD1-CG1 3.83Å; L149-V181 HydrophobicContact CG-CG1 4.31Å; L149-V181 PolarHBondContact N-O 3.18Å; V181-L189 HydrophobicContact CG1-CB 4.43Å; V181-L189 HydrophobicContact CG1-CD2 3.67Å; V181-V190 WeakPolarHBondContact CA-O 3.49Å; V181-V191 HydrophobicContact CG1-CG2 4.46Å; V181-V191 HydrophobicContact CG2-CG1 4.32Å; V181-V191 HydrophobicContact CG2-CG2 4.4Å; V181-A250 HydrophobicContact CG2-CB 4Å; V181-A254 HydrophobicContact CB-CB 4.14Å; V181-A254 HydrophobicContact CG1-CB 4.37Å; V181-A254 HydrophobicContact CG2-CB 4.17Å
182	Q	96	Very high	90.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.6	178.7	12.4	-178.4	1.5	0	0	109.9	I67 A146 T147 P179 L189 V190	I67-Q182 PolarHBondContact O-NE2 3.35Å; I67-Q182 PolarHBondContact O-OE1 3.17Å; A146-Q182 HydrophobicContact CB-CB 4.04Å; T147-Q182 CarbonylContact O-C 3.55Å; T147-Q182 VanDerWaalsContact O-CA 3.27Å; T147-Q182 WeakPolarHBondContact O-CA 3.28Å; P179-Q182 HydrophobicContact CG-CB 4.31Å; P179-Q182 HydrophobicContact CG-CG 3.89Å; Q182-L189 CarbonylContact O-C 3.51Å; Q182-L189 WeakPolarHBondContact O-CA 3.37Å; Q182-V190 HydrophobicContact CG-CB 4.46Å; Q182-V190 PolarHBondContact N-O 3.36Å; Q182-V190 PolarHBondContact O-N 3.02Å
183	R	94.3	Very high	90.8	Very high	49 Å²	49	35.2 Å²	35.2	19%	0.185	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.8	-177.7	-168.4	176.6	-169.7	165.8	8.8	110.1	A146 T147 L149 T185 K186 E264	A146-R183 WeakPolarHBondContact CA-O 3.38Å; T147-R183 PolarHBondContact N-O 3.13Å; T147-R183 PolarHBondContact O-N 3.29Å; L149-R183 HydrophobicContact CD2-CB 4.23Å; R183-T185 VanDerWaalsContact CG-O 3.26Å; R183-T185 WeakPolarHBondContact CG-O 3.26Å; R183-T185 PolarHBondContact NE-O 3.13Å; R183-K186 VanDerWaalsContact NH2-CA 3.34Å; R183-K186 PolarHBondContact NH2-O 3Å; R183-E264 IonicContact CZ-OE1 3.75Å; R183-E264 IonicContact CZ-OE2 3.26Å; R183-E264 VanDerWaalsContact CZ-OE2 3.26Å; R183-E264 IonicContact NH1-OE1 3.92Å; R183-E264 IonicContact NH1-OE2 2.74Å; R183-E264 PolarHBondContact NH1-OE2 3.21Å; R183-E264 IonicContact NH2-OE1 2.7Å; R183-E264 PolarHBondContact NH2-OE1 2.91Å; R183-E264 IonicContact NH2-OE2 3.43Å; R183-E264 PolarHBondContact NH2-OE2 3.12Å
184	I	93.5	Very high	90.7	Very high	13 Å²	13	40.2 Å²	40.2	7%	0.067	22%	0.215	C	C	.	.	S	Bend	trans	-101	-48.4	177.5	-56.7	-55.1	0	0	0	110.5	V64 I66 A146 I188 V190	V64-I184 HydrophobicContact CB-CD1 4.37Å; V64-I184 HydrophobicContact CB-CG2 3.88Å; V64-I184 HydrophobicContact CG1-CD1 4.01Å; V64-I184 HydrophobicContact CG1-CG2 4.37Å; V64-I184 HydrophobicContact CG2-CG2 3.7Å; I66-I184 HydrophobicContact CG1-CD1 4.47Å; A146-I184 HydrophobicContact CB-CD1 3.64Å; I184-I188 HydrophobicContact CB-CB 4.5Å; I184-I188 HydrophobicContact CB-CG2 4.33Å; I184-I188 WeakPolarHBondContact CB-O 3.11Å; I184-I188 PolarHBondContact N-O 2.92Å; I184-V190 HydrophobicContact CD1-CB 4.32Å; I184-V190 HydrophobicContact CD1-CG2 3.84Å; I184-V190 HydrophobicContact CG1-CB 4.25Å; I184-V190 HydrophobicContact CG1-CG2 3.57Å
185	T	89.3	Confident	90.4	Very high	35 Å²	35	39.8 Å²	39.8	22%	0.215	22%	0.219	C	C	.	.	S	Bend	trans	-139.1	-173.9	173.7	66.3	0	0	0	0	109.8	R183 N187 I188	R183-T185 VanDerWaalsContact CG-O 3.26Å; R183-T185 WeakPolarHBondContact CG-O 3.26Å; R183-T185 PolarHBondContact NE-O 3.13Å; T185-N187 PolarHBondContact O-N 3Å; T185-I188 PolarHBondContact N-O 3.12Å; T185-I188 WeakPolarHBondContact OG1-CB 3.42Å; T185-I188 WeakPolarHBondContact OG1-CG1 3.29Å; T185-I188 PolarHBondContact OG1-N 2.9Å
186	K	87	Confident	90.2	Very high	141 Å²	141	38.5 Å²	38.5	61%	0.613	22%	0.22	S	C	*	.	S	Bend	trans	-51.2	-46.1	177.3	-167.2	178.9	177	172.1	0	112.6	R183 E264	R183-K186 VanDerWaalsContact NH2-CA 3.34Å; R183-K186 PolarHBondContact NH2-O 3Å; K186-E264 WeakPolarHBondContact CE-OE1 3.44Å; K186-E264 WeakPolarHBondContact CG-OE1 3.49Å
187	N	87.3	Confident	89.8	Confident	47 Å²	47	42.6 Å²	42.6	25%	0.251	23%	0.228	S	C	.	.	S	Bend	trans	-113.4	-0.7	-170.2	-63.3	-3.7	0	0	0	113.6	T185 S207 F208	T185-N187 PolarHBondContact O-N 3Å; N187-S207 CarbonylContact O-C 3.55Å; N187-S207 VanDerWaalsContact O-CA 3.22Å; N187-S207 WeakPolarHBondContact O-CA 3.39Å; N187-S207 PolarHBondContact O-OG 3.28Å; N187-F208 VanDerWaalsContact CB-O 3.26Å; N187-F208 WeakPolarHBondContact CB-O 3.5Å; N187-F208 PolarHBondContact O-N 2.94Å
188	I	91.5	Very high	89.4	Confident	4 Å²	4	45.9 Å²	45.9	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.9	-177	-53.7	-66.3	0	0	0	109.7	D85 I184 T185 T206 S207	D85-I188 HydrophobicContact CB-CD1 4.11Å; I184-I188 HydrophobicContact CB-CB 4.5Å; I184-I188 HydrophobicContact CB-CG2 4.33Å; I184-I188 WeakPolarHBondContact CB-O 3.11Å; I184-I188 PolarHBondContact N-O 2.92Å; T185-I188 PolarHBondContact N-O 3.12Å; T185-I188 WeakPolarHBondContact OG1-CB 3.42Å; T185-I188 WeakPolarHBondContact OG1-CG1 3.29Å; T185-I188 PolarHBondContact OG1-N 2.9Å; I188-T206 WeakPolarHBondContact CA-O 3.33Å; I188-S207 VanDerWaalsContact CD1-OG 3.3Å; I188-S207 WeakPolarHBondContact CD1-OG 3.46Å
189	L	94.3	Very high	89.1	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	160.9	174.5	-61.2	98	0	0	0	109.9	L149 V181 Q182 H205 T206 F208 F255	L149-L189 HydrophobicContact CD1-CD2 3.56Å; V181-L189 HydrophobicContact CG1-CB 4.43Å; V181-L189 HydrophobicContact CG1-CD2 3.67Å; Q182-L189 CarbonylContact O-C 3.51Å; Q182-L189 WeakPolarHBondContact O-CA 3.37Å; L189-H205 WeakPolarHBondContact O-CA 3.24Å; L189-T206 PolarHBondContact N-O 3.01Å; L189-T206 PolarHBondContact O-N 3.09Å; L189-F208 HydrophobicContact CD1-CD2 3.61Å; L189-F208 HydrophobicContact CD1-CE2 3.97Å; L189-F255 HydrophobicContact CD1-CE1 4.37Å; L189-F255 HydrophobicContact CD1-CZ 3.91Å; L189-F255 HydrophobicContact CD2-CE1 3.67Å; L189-F255 HydrophobicContact CD2-CZ 3.97Å
190	V	95.2	Very high	88.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.2	168.4	168	0	0	0	0	108.1	I66 F89 V181 Q182 I184 Y203 L204	I66-V190 HydrophobicContact CD1-CG1 4.36Å; I66-V190 HydrophobicContact CD1-CG2 4.23Å; I66-V190 HydrophobicContact CG2-CG1 4.33Å; F89-V190 HydrophobicContact CE1-CG1 4.49Å; F89-V190 HydrophobicContact CE1-CG2 4.1Å; F89-V190 HydrophobicContact CZ-CG2 4.36Å; V181-V190 WeakPolarHBondContact CA-O 3.49Å; Q182-V190 HydrophobicContact CG-CB 4.46Å; Q182-V190 PolarHBondContact N-O 3.36Å; Q182-V190 PolarHBondContact O-N 3.02Å; I184-V190 HydrophobicContact CD1-CB 4.32Å; I184-V190 HydrophobicContact CD1-CG2 3.84Å; I184-V190 HydrophobicContact CG1-CB 4.25Å; I184-V190 HydrophobicContact CG1-CG2 3.57Å; V190-Y203 HydrophobicContact CG1-CD1 3.78Å; V190-Y203 HydrophobicContact CG1-CG 4.1Å; V190-L204 CarbonylContact C-O 3.59Å; V190-L204 VanDerWaalsContact CA-O 3.26Å; V190-L204 WeakPolarHBondContact CA-O 3.28Å
191	V	94.9	Very high	88.4	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132.1	177.8	-171	0	0	0	0	109.1	L180 V181 Y203 L204 T206 H247 A250 C251	L180-V191 HydrophobicContact CD1-CG1 4.32Å; L180-V191 CarbonylContact O-C 3.57Å; L180-V191 VanDerWaalsContact O-CA 3.32Å; L180-V191 WeakPolarHBondContact O-CA 3.42Å; V181-V191 HydrophobicContact CG1-CG2 4.46Å; V181-V191 HydrophobicContact CG2-CG1 4.32Å; V181-V191 HydrophobicContact CG2-CG2 4.4Å; V191-Y203 WeakPolarHBondContact O-CA 3.4Å; V191-L204 PolarHBondContact N-O 3.06Å; V191-L204 PolarHBondContact O-N 3.22Å; V191-T206 HydrophobicContact CG2-CG2 3.84Å; V191-H247 HydrophobicContact CB-CB 4.16Å; V191-H247 HydrophobicContact CG1-CB 4.07Å; V191-H247 HydrophobicContact CG2-CB 4.23Å; V191-A250 HydrophobicContact CG1-CB 3.92Å; V191-C251 WeakPolarHBondContact CG2-SG 3.42Å
192	K	93.1	Very high	88.1	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.017	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.3	172.8	-170.4	168.7	73.1	-179.7	0	110.2	L172 E175 T177 G178 L180 G202 Y203	L172-K192 WeakPolarHBondContact O-CE 3.41Å; L172-K192 PolarHBondContact O-NZ 3.48Å; E175-K192 PolarHBondContact O-NZ 3.43Å; E175-K192 VanDerWaalsContact O-NZ 3.09Å; T177-K192 WeakPolarHBondContact O-CD 3.41Å; T177-K192 PolarHBondContact O-NZ 2.77Å; T177-K192 PolarHBondContact OG1-NZ 3.16Å; G178-K192 PolarHBondContact O-NZ 3.48Å; L180-K192 HydrophobicContact CD1-CB 3.99Å; L180-K192 PolarHBondContact O-N 3.41Å; K192-G202 CarbonylContact C-O 3.49Å; K192-G202 WeakPolarHBondContact CA-O 3.26Å; K192-Y203 HydrophobicContact CB-CD1 4.15Å; K192-Y203 HydrophobicContact CB-CE1 3.88Å; K192-Y203 HydrophobicContact CD-CE1 4.27Å; K192-Y203 HydrophobicContact CG-CD1 4.43Å; K192-Y203 HydrophobicContact CG-CE1 3.92Å
193	C	91.3	Very high	87.9	Confident	13 Å²	13	50.3 Å²	50.3	9%	0.088	26%	0.26	C	S	.	.			trans	-144.1	165.5	179	75.2	0	0	0	0	110.8	A195 G202 L204 H247	C193-A195 PolarHBondContact O-N 2.97Å; C193-G202 PolarHBondContact N-O 3.24Å; C193-G202 CarbonylContact O-C 3Å; C193-G202 VanDerWaalsContact O-CA 3.24Å; C193-G202 WeakPolarHBondContact O-CA 3.09Å; C193-L204 HydrophobicContact CB-CD1 4.07Å; C193-L204 HydrophobicContact CB-CG 4.47Å; C193-H247 VanDerWaalsContact CB-NE2 3.32Å; C193-H247 WeakPolarHBondContact CB-NE2 3.36Å
194	K	87.4	Confident	87.8	Confident	142 Å²	142	48 Å²	48	62%	0.617	25%	0.252	S	S	*	.			trans	-61.6	129.4	171.6	-64.1	-174.6	178.4	-179.3	0	109.7	L172	L172-K194 HydrophobicContact CD2-CG 4.28Å
195	A	84.6	Confident	87.8	Confident	72 Å²	72	48.5 Å²	48.5	60%	0.595	25%	0.253	S	S	*	.			trans	-59.4	138.9	176.9	0	0	0	0	0	110.4	C193 H199	C193-A195 PolarHBondContact O-N 2.97Å; A195-H199 WeakPolarHBondContact CA-O 3.4Å
196	S	81.6	Confident	88	Confident	54 Å²	54	46.9 Å²	46.9	38%	0.378	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-143.1	168.3	179.2	64.7	0	0	0	0	110.4	K198 H199 S200	S196-K198 PolarHBondContact O-N 2.83Å; S196-K198 VanDerWaalsContact O-N 3.12Å; S196-H199 PolarHBondContact N-O 3.32Å; S196-H199 CarbonylContact O-C 3.19Å; S196-H199 PolarHBondContact O-N 3.39Å; S196-H199 PolarHBondContact OG-N 2.89Å; S196-S200 WeakPolarHBondContact O-CA 3.26Å; S196-S200 PolarHBondContact O-N 3.1Å
197	Q	72.7	Confident	88.1	Confident	209 Å²	209	40.8 Å²	40.8	98%	0.977	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.4	175.9	-68	-177.8	-2.2	0	0	113
198	K	73.6	Confident	88.2	Confident	117 Å²	117	38.6 Å²	38.6	51%	0.509	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-27.3	177.4	-166.2	-175.9	173.7	-141.3	0	112.7	S196 S225 T228	S196-K198 PolarHBondContact O-N 2.83Å; S196-K198 VanDerWaalsContact O-N 3.12Å; K198-S225 PolarHBondContact NZ-O 3.17Å; K198-T228 HydrophobicContact CD-CG2 4.01Å
199	H	81.3	Confident	87.9	Confident	37 Å²	37	39.5 Å²	39.5	17%	0.171	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-135	67.8	-172.5	-55.2	-56.8	0	0	0	109.1	A195 S196 L201 G202 L204	A195-H199 WeakPolarHBondContact CA-O 3.4Å; S196-H199 PolarHBondContact N-O 3.32Å; S196-H199 CarbonylContact O-C 3.19Å; S196-H199 PolarHBondContact O-N 3.39Å; S196-H199 PolarHBondContact OG-N 2.89Å; H199-L201 PolarHBondContact O-N 3.45Å; H199-G202 PolarHBondContact O-N 3.12Å; H199-L204 HydrophobicContact CB-CD2 4.17Å; H199-L204 WeakPolarHBondContact CE1-CD2 3.31Å; H199-L204 VanDerWaalsContact CG-CD2 3.42Å; H199-L204 WeakPolarHBondContact ND1-CD2 3.38Å
200	S	84.4	Confident	87	Confident	66 Å²	66	42.8 Å²	42.8	46%	0.462	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.5	-172.4	55.5	0	0	0	0	113.1	Y116 S196 G202	Y116-S200 WeakPolarHBondContact CE1-OG 3.26Å; S196-S200 WeakPolarHBondContact O-CA 3.26Å; S196-S200 PolarHBondContact O-N 3.1Å; S200-G202 VanDerWaalsContact C-N 3.32Å; S200-G202 PolarHBondContact O-N 2.99Å
201	L	86.8	Confident	85.6	Confident	27 Å²	27	48.2 Å²	48.2	14%	0.141	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-8.8	-178.9	-63.3	174.6	0	0	0	114	V74 F89 Y116 H199 Y203	V74-L201 HydrophobicContact CG1-CD1 3.93Å; V74-L201 HydrophobicContact CG2-CD2 4.39Å; F89-L201 HydrophobicContact CB-CD1 3.39Å; F89-L201 HydrophobicContact CD2-CD1 4.11Å; F89-L201 HydrophobicContact CG-CD1 3.79Å; Y116-L201 HydrophobicContact CD2-CD1 3.91Å; Y116-L201 HydrophobicContact CE1-CD1 4.47Å; Y116-L201 HydrophobicContact CE1-CG 4.3Å; Y116-L201 HydrophobicContact CE2-CD1 3.72Å; Y116-L201 HydrophobicContact CE2-CD2 4.03Å; Y116-L201 HydrophobicContact CE2-CG 4.11Å; Y116-L201 HydrophobicContact CG-CD1 4.38Å; Y116-L201 WeakPolarHBondContact OH-CD2 3.41Å; H199-L201 PolarHBondContact O-N 3.45Å; L201-Y203 HydrophobicContact CB-CD2 4.45Å; L201-Y203 WeakPolarHBondContact O-CD2 3.23Å; L201-Y203 WeakPolarHBondContact O-CE2 3.44Å; L201-Y203 PolarHBondContact O-N 3.5Å
202	G	89.8	Confident	84	Confident	8 Å²	8	55 Å²	55	8%	0.082	29%	0.286	C	S	.	.	S	Bend	trans	68.7	20.4	-175.9	0	0	0	0	0	114.5	K192 C193 H199 S200	K192-G202 CarbonylContact C-O 3.49Å; K192-G202 WeakPolarHBondContact CA-O 3.26Å; C193-G202 PolarHBondContact N-O 3.24Å; C193-G202 CarbonylContact O-C 3Å; C193-G202 VanDerWaalsContact O-CA 3.24Å; C193-G202 WeakPolarHBondContact O-CA 3.09Å; H199-G202 PolarHBondContact O-N 3.12Å; S200-G202 VanDerWaalsContact C-N 3.32Å; S200-G202 PolarHBondContact O-N 2.99Å
203	Y	92.7	Very high	82.1	Confident	16 Å²	16	57.3 Å²	57.3	6%	0.063	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.7	178	-65.7	-73.7	0	0	0	111.8	T68 F89 V190 V191 K192 L201	T68-Y203 WeakPolarHBondContact CA-OH 3.48Å; T68-Y203 HydrophobicContact CG2-CE2 3.78Å; F89-Y203 VanDerWaalsContact CE2-O 3.26Å; F89-Y203 WeakPolarHBondContact CE2-O 3.5Å; V190-Y203 HydrophobicContact CG1-CD1 3.78Å; V190-Y203 HydrophobicContact CG1-CG 4.1Å; V191-Y203 WeakPolarHBondContact O-CA 3.4Å; K192-Y203 HydrophobicContact CB-CD1 4.15Å; K192-Y203 HydrophobicContact CB-CE1 3.88Å; K192-Y203 HydrophobicContact CD-CE1 4.27Å; K192-Y203 HydrophobicContact CG-CD1 4.43Å; K192-Y203 HydrophobicContact CG-CE1 3.92Å; L201-Y203 HydrophobicContact CB-CD2 4.45Å; L201-Y203 WeakPolarHBondContact O-CD2 3.23Å; L201-Y203 WeakPolarHBondContact O-CE2 3.44Å; L201-Y203 PolarHBondContact O-N 3.5Å
204	L	92.7	Very high	80.4	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	137.8	-179.5	-67.9	173	0	0	0	112.4	V190 V191 C193 H199 C226 H247	V190-L204 CarbonylContact C-O 3.59Å; V190-L204 VanDerWaalsContact CA-O 3.26Å; V190-L204 WeakPolarHBondContact CA-O 3.28Å; V191-L204 PolarHBondContact N-O 3.06Å; V191-L204 PolarHBondContact O-N 3.22Å; C193-L204 HydrophobicContact CB-CD1 4.07Å; C193-L204 HydrophobicContact CB-CG 4.47Å; H199-L204 HydrophobicContact CB-CD2 4.17Å; H199-L204 WeakPolarHBondContact CE1-CD2 3.31Å; H199-L204 VanDerWaalsContact CG-CD2 3.42Å; H199-L204 WeakPolarHBondContact ND1-CD2 3.38Å; L204-C226 HydrophobicContact CD1-CB 3.69Å; L204-H247 WeakPolarHBondContact CD1-CE1 3.5Å; L204-H247 WeakPolarHBondContact CD1-NE2 3.43Å
205	H	92.7	Very high	78.8	Confident	22 Å²	22	64.8 Å²	64.8	10%	0.102	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.9	165.8	-60.2	100	0	0	0	110.9	S76 F89 L189 S225	S76-H205 PolarHBondContact OG-CD2 3.28Å; S76-H205 PolarHBondContact OG-NE2 3.48Å; F89-H205 AromaticContact CD1-CE1 3.61Å; F89-H205 AromaticContact CD1-NE2 3.99Å; F89-H205 AromaticContact CD2-CE1 3.82Å; F89-H205 AromaticContact CE1-CE1 3.25Å; F89-H205 WeakPolarHBondContact CE1-CE1 3.3Å; F89-H205 AromaticContact CE1-NE2 3.45Å; F89-H205 WeakPolarHBondContact CE1-NE2 3.19Å; F89-H205 AromaticContact CE2-CE1 3.5Å; F89-H205 AromaticContact CE2-ND1 3.61Å; F89-H205 AromaticContact CG-CE1 3.88Å; F89-H205 AromaticContact CZ-CE1 3.21Å; F89-H205 WeakPolarHBondContact CZ-CE1 3.27Å; F89-H205 AromaticContact CZ-ND1 3.5Å; F89-H205 WeakPolarHBondContact CZ-ND1 3.49Å; F89-H205 AromaticContact CZ-NE2 3.71Å; L189-H205 WeakPolarHBondContact O-CA 3.24Å; H205-S225 PolarHBondContact O-N 2.97Å; H205-S225 PolarHBondContact O-OG 3.47Å
206	T	92.6	Very high	77.3	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.9	166.1	60.2	0	0	0	0	110	I188 L189 V191 F222 F223 C224 H247	I188-T206 WeakPolarHBondContact CA-O 3.33Å; L189-T206 PolarHBondContact N-O 3.01Å; L189-T206 PolarHBondContact O-N 3.09Å; V191-T206 HydrophobicContact CG2-CG2 3.84Å; T206-F222 HydrophobicContact CG2-CE2 4.14Å; T206-F222 HydrophobicContact CG2-CZ 4.04Å; T206-F223 CarbonylContact C-O 3.45Å; T206-F223 WeakPolarHBondContact CA-O 3.2Å; T206-C224 HydrophobicContact CG2-CB 4.18Å; T206-H247 HydrophobicContact CG2-CB 4.02Å
207	S	90.6	Very high	76.1	Confident	12 Å²	12	69.9 Å²	69.9	8%	0.084	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.2	-179.8	-173.7	0	0	0	0	111.7	N187 I188 V209 F222 F223	N187-S207 CarbonylContact O-C 3.55Å; N187-S207 VanDerWaalsContact O-CA 3.22Å; N187-S207 WeakPolarHBondContact O-CA 3.39Å; N187-S207 PolarHBondContact O-OG 3.28Å; I188-S207 VanDerWaalsContact CD1-OG 3.3Å; I188-S207 WeakPolarHBondContact CD1-OG 3.46Å; S207-V209 WeakPolarHBondContact OG-CG2 3.22Å; S207-F222 CarbonylContact O-C 3.48Å; S207-F222 VanDerWaalsContact O-CA 3.31Å; S207-F222 WeakPolarHBondContact O-CA 3.26Å; S207-F223 PolarHBondContact N-O 2.83Å; S207-F223 PolarHBondContact O-N 2.82Å
208	F	88.9	Confident	75.4	Confident	1 Å²	1	62.7 Å²	62.7	0%	0.004	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	104.9	174.5	-70	-97.5	0	0	0	108.3	N187 L189 F222 F248 C251 I252 F255 F265 F268	N187-F208 VanDerWaalsContact CB-O 3.26Å; N187-F208 WeakPolarHBondContact CB-O 3.5Å; N187-F208 PolarHBondContact O-N 2.94Å; L189-F208 HydrophobicContact CD1-CD2 3.61Å; L189-F208 HydrophobicContact CD1-CE2 3.97Å; F208-F222 HydrophobicContact CD1-CD2 4.07Å; F208-F222 HydrophobicContact CD2-CD2 4.19Å; F208-F222 HydrophobicContact CD2-CE2 4.43Å; F208-F222 AromaticContact CE1-CD2 3.61Å; F208-F222 HydrophobicContact CE1-CD2 3.61Å; F208-F222 HydrophobicContact CE1-CE2 4.14Å; F208-F222 AromaticContact CE2-CD2 3.74Å; F208-F222 HydrophobicContact CE2-CD2 3.74Å; F208-F222 AromaticContact CE2-CE2 3.65Å; F208-F222 HydrophobicContact CE2-CE2 3.65Å; F208-F222 HydrophobicContact CG-CD2 4.33Å; F208-F222 AromaticContact CZ-CD2 3.42Å; F208-F222 HydrophobicContact CZ-CD2 3.42Å; F208-F222 VanDerWaalsContact CZ-CD2 3.42Å; F208-F222 AromaticContact CZ-CE2 3.47Å; F208-F222 HydrophobicContact CZ-CE2 3.47Å; F208-F222 VanDerWaalsContact CZ-CE2 3.47Å; F208-F248 HydrophobicContact CE1-CD2 4.05Å; F208-F248 AromaticContact CE1-CE2 3.91Å; F208-F248 HydrophobicContact CE1-CE2 3.91Å; F208-F248 HydrophobicContact CZ-CD2 4.22Å; F208-C251 HydrophobicContact CE2-CB 3.68Å; F208-C251 HydrophobicContact CZ-CB 3.49Å; F208-C251 VanDerWaalsContact CZ-CB 3.49Å; F208-I252 HydrophobicContact CE1-CD1 4.46Å; F208-F255 HydrophobicContact CD1-CE2 4.12Å; F208-F255 HydrophobicContact CD2-CE2 4.26Å; F208-F255 HydrophobicContact CD2-CZ 4.1Å; F208-F255 AromaticContact CE1-CE2 3.85Å; F208-F255 HydrophobicContact CE1-CE2 3.85Å; F208-F255 HydrophobicContact CE2-CE2 4.01Å; F208-F255 AromaticContact CE2-CZ 3.95Å; F208-F255 HydrophobicContact CE2-CZ 3.95Å; F208-F255 HydrophobicContact CG-CE2 4.32Å; F208-F255 HydrophobicContact CG-CZ 4.49Å; F208-F255 AromaticContact CZ-CE2 3.8Å; F208-F255 HydrophobicContact CZ-CE2 3.8Å; F208-F255 HydrophobicContact CZ-CZ 4.2Å; F208-F265 HydrophobicContact CB-CD1 4.29Å; F208-F265 HydrophobicContact CB-CE1 3.88Å; F208-F265 HydrophobicContact CG-CE1 4.35Å; F208-F268 HydrophobicContact CB-CE1 4.47Å; F208-F268 HydrophobicContact CB-CE2 4.04Å; F208-F268 HydrophobicContact CB-CZ 3.95Å; F208-F268 HydrophobicContact CD1-CB 4.5Å; F208-F268 AromaticContact CD1-CD1 3.67Å; F208-F268 HydrophobicContact CD1-CD1 3.67Å; F208-F268 HydrophobicContact CD1-CD2 4.09Å; F208-F268 AromaticContact CD1-CE1 3.77Å; F208-F268 HydrophobicContact CD1-CE1 3.77Å; F208-F268 HydrophobicContact CD1-CE2 4.19Å; F208-F268 AromaticContact CD1-CG 3.83Å; F208-F268 HydrophobicContact CD1-CG 3.83Å; F208-F268 HydrophobicContact CD1-CZ 4.03Å; F208-F268 HydrophobicContact CE1-CD1 4.2Å; F208-F268 HydrophobicContact CE1-CG 4.37Å
209	V	84.5	Confident	75.1	Confident	24 Å²	24	61.1 Å²	61.1	15%	0.145	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.4	-177.3	-177.1	0	0	0	0	109.5	S207 K211 R221	S207-V209 WeakPolarHBondContact OG-CG2 3.22Å; V209-K211 HydrophobicContact CG1-CG 4.31Å; V209-R221 PolarHBondContact N-O 2.65Å; V209-R221 PolarHBondContact O-N 2.82Å
210	Q	75.3	Confident	74.8	Confident	70 Å²	70	63.4 Å²	63.4	33%	0.327	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.3	170	-174	179.8	17.5	0	0	109.2	I212 D267	Q210-I212 HydrophobicContact CG-CG1 4.23Å; Q210-D267 PolarHBondContact NE2-OD2 2.84Å
211	K	67.2	Low	74.8	Confident	114 Å²	114	65.3 Å²	65.3	50%	0.496	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.4	171.2	-73.7	-175.7	-178	174.7	0	109.6	V209 S213 E219	V209-K211 HydrophobicContact CG1-CG 4.31Å; K211-S213 PolarHBondContact O-N 2.81Å; K211-E219 PolarHBondContact N-O 3.17Å; K211-E219 PolarHBondContact O-N 2.58Å
212	I	60.2	Low	74.8	Confident	142 Å²	142	65.7 Å²	65.7	73%	0.728	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	111	169.6	-53.3	172.8	0	0	0	107	Q210	Q210-I212 HydrophobicContact CG-CG1 4.23Å
213	S	54	Low	74.7	Confident	54 Å²	54	70.6 Å²	70.6	38%	0.378	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.6	174	169.4	0	0	0	0	108.4	K211 K215 S216	K211-S213 PolarHBondContact O-N 2.81Å; S213-K215 PolarHBondContact O-N 3.22Å; S213-K215 PolarHBondContact OG-N 3.21Å; S213-S216 WeakPolarHBondContact CB-OG 3.42Å; S213-S216 PolarHBondContact OG-N 2.91Å; S213-S216 PolarHBondContact OG-OG 2.74Å
214	A	55.3	Low	74.5	Confident	108 Å²	108	70.3 Å²	70.3	89%	0.893	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-5.3	177.7	0	0	0	0	0	113.9
215	K	52.7	Low	74	Confident	204 Å²	204	72.8 Å²	72.8	89%	0.887	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	1.5	-174.2	-63.2	-171	178.3	-173.9	0	114.7	S213	S213-K215 PolarHBondContact O-N 3.22Å; S213-K215 PolarHBondContact OG-N 3.21Å
216	S	54.8	Low	73.5	Confident	73 Å²	73	73.1 Å²	73.1	51%	0.51	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.2	-179.5	64.8	0	0	0	0	111.3	S213	S213-S216 WeakPolarHBondContact CB-OG 3.42Å; S213-S216 PolarHBondContact OG-N 2.91Å; S213-S216 PolarHBondContact OG-OG 2.74Å
217	L	55	Low	72.5	Confident	160 Å²	160	77.2 Å²	77.2	84%	0.838	40%	0.403	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-49.8	142.1	173	-78.6	162.4	0	0	0	111.1	E219	L217-E219 PolarHBondContact O-N 3.15Å
218	P	59.1	Low	70.3	Confident	58 Å²	58	79.3 Å²	79.3	38%	0.377	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	118.6	-179.2	22.9	-30.7	0	0	0	110.2
219	E	66.3	Low	67.9	Low	84 Å²	84	87.5 Å²	87.5	39%	0.393	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.1	179	-170	179.4	-160.9	0	0	109.5	K211 L217 R221	K211-E219 PolarHBondContact N-O 3.17Å; K211-E219 PolarHBondContact O-N 2.58Å; L217-E219 PolarHBondContact O-N 3.15Å; E219-R221 VanDerWaalsContact CD-NH2 3.28Å; E219-R221 HydrophobicContact CG-CG 4.25Å; E219-R221 IonicContact OE1-CZ 3.8Å; E219-R221 IonicContact OE1-NE 2.92Å; E219-R221 PolarHBondContact OE1-NE 2.93Å; E219-R221 IonicContact OE1-NH2 2.82Å; E219-R221 PolarHBondContact OE1-NH2 2.96Å; E219-R221 IonicContact OE2-CZ 2.7Å; E219-R221 IonicContact OE2-NE 3.79Å; E219-R221 IonicContact OE2-NH2 3.1Å; E219-R221 PolarHBondContact OE2-NH2 2.72Å
220	R	75.8	Confident	65.3	Low	84 Å²	84	94.1 Å²	94.1	32%	0.317	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.9	-179.5	-58.6	174.6	-172.8	161.2	4	108.7	D267 F268	R220-D267 WeakPolarHBondContact CD-O 3.21Å; R220-D267 IonicContact CZ-OD1 3.84Å; R220-D267 VanDerWaalsContact CZ-OD1 3.3Å; R220-D267 PolarHBondContact NE-O 3.5Å; R220-D267 IonicContact NE-OD1 2.79Å; R220-D267 PolarHBondContact NE-OD1 3.36Å; R220-D267 PolarHBondContact NH1-O 2.77Å; R220-D267 IonicContact NH2-OD1 3.78Å; R220-D267 PolarHBondContact NH2-OD1 3.49Å; R220-F268 HydrophobicContact CB-CE1 4Å; R220-F268 HydrophobicContact CB-CZ 4.31Å
221	R	82.9	Confident	63.2	Low	107 Å²	107	94.7 Å²	94.7	40%	0.404	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.4	178	-63.1	-171.5	-175.5	174.3	-1.5	110.9	V209 E219 F223	V209-R221 PolarHBondContact N-O 2.65Å; V209-R221 PolarHBondContact O-N 2.82Å; E219-R221 VanDerWaalsContact CD-NH2 3.28Å; E219-R221 HydrophobicContact CG-CG 4.25Å; E219-R221 IonicContact OE1-CZ 3.8Å; E219-R221 IonicContact OE1-NE 2.92Å; E219-R221 PolarHBondContact OE1-NE 2.93Å; E219-R221 IonicContact OE1-NH2 2.82Å; E219-R221 PolarHBondContact OE1-NH2 2.96Å; E219-R221 IonicContact OE2-CZ 2.7Å; E219-R221 IonicContact OE2-NE 3.79Å; E219-R221 IonicContact OE2-NH2 3.1Å; E219-R221 PolarHBondContact OE2-NH2 2.72Å; R221-F223 HydrophobicContact CB-CD2 4.46Å; R221-F223 HydrophobicContact CB-CE2 3.68Å; R221-F223 HydrophobicContact CB-CZ 4.07Å
222	F	87.4	Confident	61.4	Low	35 Å²	35	97 Å²	97	15%	0.154	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.4	169.3	170.9	-101.3	0	0	0	109.8	T206 S207 F208 C224 F248	T206-F222 HydrophobicContact CG2-CE2 4.14Å; T206-F222 HydrophobicContact CG2-CZ 4.04Å; S207-F222 CarbonylContact O-C 3.48Å; S207-F222 VanDerWaalsContact O-CA 3.31Å; S207-F222 WeakPolarHBondContact O-CA 3.26Å; F208-F222 HydrophobicContact CD1-CD2 4.07Å; F208-F222 HydrophobicContact CD2-CD2 4.19Å; F208-F222 HydrophobicContact CD2-CE2 4.43Å; F208-F222 AromaticContact CE1-CD2 3.61Å; F208-F222 HydrophobicContact CE1-CD2 3.61Å; F208-F222 HydrophobicContact CE1-CE2 4.14Å; F208-F222 AromaticContact CE2-CD2 3.74Å; F208-F222 HydrophobicContact CE2-CD2 3.74Å; F208-F222 AromaticContact CE2-CE2 3.65Å; F208-F222 HydrophobicContact CE2-CE2 3.65Å; F208-F222 HydrophobicContact CG-CD2 4.33Å; F208-F222 AromaticContact CZ-CD2 3.42Å; F208-F222 HydrophobicContact CZ-CD2 3.42Å; F208-F222 VanDerWaalsContact CZ-CD2 3.42Å; F208-F222 AromaticContact CZ-CE2 3.47Å; F208-F222 HydrophobicContact CZ-CE2 3.47Å; F208-F222 VanDerWaalsContact CZ-CE2 3.47Å; F222-C224 HydrophobicContact CE1-CB 3.61Å; F222-C224 HydrophobicContact CZ-CB 3.66Å; F222-F248 HydrophobicContact CB-CD2 4.24Å; F222-F248 HydrophobicContact CB-CE2 4.39Å; F222-F248 HydrophobicContact CD1-CB 4.4Å; F222-F248 AromaticContact CD1-CD2 3.91Å; F222-F248 HydrophobicContact CD1-CD2 3.91Å; F222-F248 AromaticContact CD2-CD2 3.74Å; F222-F248 HydrophobicContact CD2-CD2 3.74Å; F222-F248 HydrophobicContact CD2-CE2 4.44Å; F222-F248 HydrophobicContact CE1-CB 3.83Å; F222-F248 HydrophobicContact CE1-CD2 4.14Å; F222-F248 HydrophobicContact CE1-CG 4.46Å; F222-F248 HydrophobicContact CE2-CB 4.23Å; F222-F248 AromaticContact CE2-CD2 3.95Å; F222-F248 HydrophobicContact CE2-CD2 3.95Å; F222-F248 AromaticContact CG-CD2 3.68Å; F222-F248 HydrophobicContact CG-CD2 3.68Å; F222-F248 HydrophobicContact CG-CE2 4.31Å; F222-F248 HydrophobicContact CZ-CB 3.71Å; F222-F248 HydrophobicContact CZ-CD2 4.14Å; F222-F248 HydrophobicContact CZ-CG 4.45Å
223	F	87.1	Confident	60.1	Low	111 Å²	111	95.3 Å²	95.3	49%	0.487	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.6	172.3	-61.9	-81.7	0	0	0	110.1	T206 S207 R221	T206-F223 CarbonylContact C-O 3.45Å; T206-F223 WeakPolarHBondContact CA-O 3.2Å; S207-F223 PolarHBondContact N-O 2.83Å; S207-F223 PolarHBondContact O-N 2.82Å; R221-F223 HydrophobicContact CB-CD2 4.46Å; R221-F223 HydrophobicContact CB-CE2 3.68Å; R221-F223 HydrophobicContact CB-CZ 4.07Å
224	C	88.7	Confident	58.9	Low	10 Å²	10	97.3 Å²	97.3	7%	0.068	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	171.3	178.6	0	0	0	0	110.4	T206 F222 C226 Q227 C245 H247	T206-C224 HydrophobicContact CG2-CB 4.18Å; F222-C224 HydrophobicContact CE1-CB 3.61Å; F222-C224 HydrophobicContact CZ-CB 3.66Å; C224-C226 HydrophobicContact CB-CB 4.48Å; C224-C226 WeakPolarHBondContact CB-SG 3.37Å; C224-C226 PolarHBondContact O-N 3.27Å; C224-C226 VanDerWaalsContact O-N 3.15Å; C224-C226 WeakPolarHBondContact SG-CB 3.49Å; C224-C226 PolarHBondContact SG-N 3.42Å; C224-C226 CovalentContact SG-SG 2.06Å; C224-C226 PolarHBondContact SG-SG 2.84Å; C224-Q227 HydrophobicContact CB-CG 4.39Å; C224-Q227 PolarHBondContact O-N 3.32Å; C224-C245 VanDerWaalsContact SG-SG 3.64Å; C224-H247 PolarHBondContact SG-ND1 3.3Å; C224-H247 VanDerWaalsContact SG-ND1 3.43Å
225	S	83.6	Confident	57.7	Low	53 Å²	53	100.7 Å²	100.7	37%	0.371	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-15.5	175.7	-60.2	0	0	0	0	113.8	K198 H205	K198-S225 PolarHBondContact NZ-O 3.17Å; H205-S225 PolarHBondContact O-N 2.97Å; H205-S225 PolarHBondContact O-OG 3.47Å
226	C	81.9	Confident	56.5	Low	29 Å²	29	94.6 Å²	94.6	20%	0.196	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-26.9	171.9	60	0	0	0	0	114	L204 C224 T228 C245 H247	L204-C226 HydrophobicContact CD1-CB 3.69Å; C224-C226 HydrophobicContact CB-CB 4.48Å; C224-C226 WeakPolarHBondContact CB-SG 3.37Å; C224-C226 PolarHBondContact O-N 3.27Å; C224-C226 VanDerWaalsContact O-N 3.15Å; C224-C226 WeakPolarHBondContact SG-CB 3.49Å; C224-C226 PolarHBondContact SG-N 3.42Å; C224-C226 CovalentContact SG-SG 2.06Å; C224-C226 PolarHBondContact SG-SG 2.84Å; C226-T228 PolarHBondContact O-N 3.43Å; C226-C245 VanDerWaalsContact SG-CB 3.54Å; C226-C245 PolarHBondContact SG-SG 3.13Å; C226-H247 PolarHBondContact SG-ND1 2.96Å
227	Q	72.1	Confident	55.4	Low	89 Å²	89	96.1 Å²	96.1	42%	0.416	51%	0.512	S	S	.	.			trans	-74.8	80.3	175.7	-70.8	174.4	-9.4	0	0	107.5	C224 Q243	C224-Q227 HydrophobicContact CB-CG 4.39Å; C224-Q227 PolarHBondContact O-N 3.32Å; Q227-Q243 PolarHBondContact NE2-O 3Å
228	T	44.4	Very low	54.6	Low	55 Å²	55	98.6 Å²	98.6	34%	0.337	52%	0.516	S	S	.	.			trans	-60.1	134.6	145.1	42.6	0	0	0	0	106.6	K198 C226 K230	K198-T228 HydrophobicContact CD-CG2 4.01Å; C226-T228 PolarHBondContact O-N 3.43Å; T228-K230 PolarHBondContact O-N 2.85Å; T228-K230 WeakPolarHBondContact OG1-CG 2.98Å
229	L	38.1	Very low	53.5	Low	173 Å²	173	102.1 Å²	102.1	91%	0.906	53%	0.532	S	S	*	.			trans	-45.3	90	158.7	-75.2	144.2	0	0	0	108.4
230	K	29.4	Very low	52.3	Low	163 Å²	163	106.5 Å²	106.5	71%	0.709	55%	0.552	S	S	*	*			trans	-114.9	107.5	175.7	-88	-172.5	179.2	-168.2	0	106.7	T228 H232	T228-K230 PolarHBondContact O-N 2.85Å; T228-K230 WeakPolarHBondContact OG1-CG 2.98Å; K230-H232 PolarHBondContact O-N 3.31Å
231	S	31.3	Very low	50.6	Low	83 Å²	83	104.9 Å²	104.9	58%	0.58	56%	0.557	S	S	*	*			trans	-42.6	113.2	158.3	-171.6	0	0	0	0	109.6
232	H	29.1	Very low	49	Very low	161 Å²	161	103.8 Å²	103.8	75%	0.745	57%	0.57	S	S	*	*			trans	-137.9	110	150.5	-111.6	-80.1	0	0	0	107.4	K230 S234	K230-H232 PolarHBondContact O-N 3.31Å; H232-S234 PolarHBondContact O-N 3.03Å
233	K	32.8	Very low	47.7	Very low	107 Å²	107	108.7 Å²	108.7	47%	0.465	59%	0.594	S	S	.	*			trans	-58	119.5	168.1	-70.9	156.3	164.5	-173.1	0	109.1	T358	K233-T358 WeakPolarHBondContact CD-OG1 3.39Å; K233-T358 WeakPolarHBondContact CE-OG1 3.32Å; K233-T358 PolarHBondContact NZ-O 2.97Å; K233-T358 PolarHBondContact NZ-OG1 2.68Å
234	S	29.5	Very low	47.4	Very low	97 Å²	97	106 Å²	106	68%	0.678	58%	0.581	S	S	*	*			trans	-157.7	111.2	143.7	57.6	0	0	0	0	106.1	H232 A236	H232-S234 PolarHBondContact O-N 3.03Å; S234-A236 PolarHBondContact O-N 3.18Å
235	N	30.1	Very low	47.5	Very low	178 Å²	178	106.7 Å²	106.7	95%	0.952	59%	0.585	S	S	*	*			trans	-62.2	102	167.3	-83.1	-19.8	0	0	0	107.9
236	A	27.4	Very low	47.8	Very low	76 Å²	76	107 Å²	107	63%	0.628	58%	0.582	S	S	*	*			trans	-107.8	116.5	152.4	0	0	0	0	0	106.5	S234	S234-A236 PolarHBondContact O-N 3.18Å
237	S	31.1	Very low	48.4	Very low	105 Å²	105	106.2 Å²	106.2	73%	0.734	58%	0.575	S	S	*	*	S	Bend	trans	-30.9	134.8	163.9	47.6	0	0	0	0	113.4	D239	S237-D239 PolarHBondContact O-N 2.79Å
238	K	38.6	Very low	49.4	Very low	212 Å²	212	102.5 Å²	102.5	92%	0.922	56%	0.558	S	S	*	*	S	Bend	trans	33.9	79.9	159.8	-90.7	-176.7	168.9	-179.4	0	113.9
239	D	35	Very low	51.6	Low	133 Å²	133	101.3 Å²	101.3	71%	0.711	55%	0.548	S	S	*	.			trans	-145.3	111	162.2	-103.2	-29.5	0	0	0	111	S237 A241	S237-D239 PolarHBondContact O-N 2.79Å; D239-A241 HydrophobicContact CB-CB 4.29Å; D239-A241 PolarHBondContact O-N 2.86Å
240	E	41.4	Very low	54.3	Low	176 Å²	176	93.2 Å²	93.2	82%	0.822	51%	0.506	S	S	*	.			trans	-66.9	27.6	162.1	-86.5	-154.4	121.4	0	0	112.1	A242 F271	E240-A242 PolarHBondContact O-N 3.11Å; E240-F271 HydrophobicContact CB-CZ 4.42Å; E240-F271 WeakPolarHBondContact O-CE1 3.43Å
241	A	41	Very low	57.4	Low	49 Å²	49	85.5 Å²	85.5	41%	0.405	47%	0.473	S	S	.	.			trans	-98.9	58.6	169.2	0	0	0	0	0	109.2	D239 Q243	D239-A241 HydrophobicContact CB-CB 4.29Å; D239-A241 PolarHBondContact O-N 2.86Å; A241-Q243 PolarHBondContact O-N 2.85Å; A241-Q243 VanDerWaalsContact O-N 3.11Å
242	A	48.6	Very low	60.3	Low	84 Å²	84	82.5 Å²	82.5	69%	0.694	45%	0.45	S	S	*	.			trans	-49.3	121.9	174.8	0	0	0	0	0	110.1	E240 R244	E240-A242 PolarHBondContact O-N 3.11Å; A242-R244 PolarHBondContact O-N 2.86Å
243	Q	60.8	Low	63.4	Low	138 Å²	138	74.9 Å²	74.9	65%	0.645	42%	0.415	S	S	*	.			trans	-29	94.7	-173.1	-71.1	-168.9	-17	0	0	114.3	Q227 A241 C245	Q227-Q243 PolarHBondContact NE2-O 3Å; A241-Q243 PolarHBondContact O-N 2.85Å; A241-Q243 VanDerWaalsContact O-N 3.11Å; Q243-C245 PolarHBondContact O-N 3.32Å
244	R	81.4	Confident	66.3	Low	55 Å²	55	69.8 Å²	69.8	21%	0.208	39%	0.393	C	S	.	.			trans	-71.9	117.6	175.9	-69.9	164.3	177.6	174.5	12.4	108.2	A242 F248 F249 D272	A242-R244 PolarHBondContact O-N 2.86Å; R244-F248 HydrophobicContact CB-CB 4.12Å; R244-F248 HydrophobicContact CB-CD1 3.64Å; R244-F248 HydrophobicContact CB-CE1 4.29Å; R244-F248 HydrophobicContact CB-CG 3.97Å; R244-F248 HydrophobicContact CG-CD1 3.61Å; R244-F248 HydrophobicContact CG-CD2 4.46Å; R244-F248 HydrophobicContact CG-CE1 3.79Å; R244-F248 HydrophobicContact CG-CG 3.97Å; R244-F248 HydrophobicContact CG-CZ 4.28Å; R244-F249 HydrophobicContact CB-CD2 4.46Å; R244-F249 HydrophobicContact CB-CE2 3.77Å; R244-F249 HydrophobicContact CB-CZ 3.95Å; R244-F249 WeakPolarHBondContact O-CE2 3.41Å; R244-D272 IonicContact CZ-OD1 3.33Å; R244-D272 IonicContact CZ-OD2 3.97Å; R244-D272 VanDerWaalsContact NH1-CG 3.26Å; R244-D272 IonicContact NH1-OD1 2.88Å; R244-D272 PolarHBondContact NH1-OD1 2.88Å; R244-D272 IonicContact NH1-OD2 2.86Å; R244-D272 PolarHBondContact NH1-OD2 3.37Å; R244-D272 IonicContact NH2-OD1 2.85Å; R244-D272 PolarHBondContact NH2-OD1 3.04Å
245	C	89.4	Confident	69.3	Low	25 Å²	25	65.2 Å²	65.2	17%	0.169	36%	0.361	C	S	.	.			trans	-71.2	165.8	176.6	67.2	0	0	0	0	111.6	C224 C226 Q243 H247 F248 F249	C224-C245 VanDerWaalsContact SG-SG 3.64Å; C226-C245 VanDerWaalsContact SG-CB 3.54Å; C226-C245 PolarHBondContact SG-SG 3.13Å; Q243-C245 PolarHBondContact O-N 3.32Å; C245-H247 PolarHBondContact O-N 3.15Å; C245-F248 VanDerWaalsContact O-CB 3.29Å; C245-F248 WeakPolarHBondContact O-CB 3.3Å; C245-F248 PolarHBondContact O-N 3.1Å; C245-F248 PolarHBondContact SG-N 2.85Å; C245-F248 VanDerWaalsContact SG-N 3.43Å; C245-F249 WeakPolarHBondContact O-CD2 3.48Å; C245-F249 PolarHBondContact O-N 2.64Å
246	I	91.2	Very high	72.3	Confident	58 Å²	58	58.8 Å²	58.8	30%	0.297	33%	0.332	S	S	.	.	H	α-helix	trans	-53.2	-31.6	174.4	65.8	174.8	0	0	0	113.1	T165 T168 F248 F249 A250	T165-I246 HydrophobicContact CG2-CG2 4.17Å; T168-I246 HydrophobicContact CG2-CD1 4.15Å; I246-F248 VanDerWaalsContact C-N 3.33Å; I246-F248 PolarHBondContact O-N 2.66Å; I246-F249 PolarHBondContact O-N 3.36Å; I246-A250 PolarHBondContact O-N 3.27Å
247	H	92.8	Very high	75.4	Confident	13 Å²	13	55.3 Å²	55.3	6%	0.06	30%	0.303	C	S	.	.	H	α-helix	trans	-72.2	-26.8	179.5	-44.7	99.7	0	0	0	112.7	V191 C193 L204 T206 C224 C226 C245 C251	V191-H247 HydrophobicContact CB-CB 4.16Å; V191-H247 HydrophobicContact CG1-CB 4.07Å; V191-H247 HydrophobicContact CG2-CB 4.23Å; C193-H247 VanDerWaalsContact CB-NE2 3.32Å; C193-H247 WeakPolarHBondContact CB-NE2 3.36Å; L204-H247 WeakPolarHBondContact CD1-CE1 3.5Å; L204-H247 WeakPolarHBondContact CD1-NE2 3.43Å; T206-H247 HydrophobicContact CG2-CB 4.02Å; C224-H247 PolarHBondContact SG-ND1 3.3Å; C224-H247 VanDerWaalsContact SG-ND1 3.43Å; C226-H247 PolarHBondContact SG-ND1 2.96Å; C245-H247 PolarHBondContact O-N 3.15Å; H247-C251 PolarHBondContact O-N 3.09Å; H247-C251 PolarHBondContact O-SG 3.2Å; H247-C251 VanDerWaalsContact O-SG 3.33Å
248	F	93.1	Very high	78.3	Confident	12 Å²	12	53 Å²	53	5%	0.053	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-51.8	170.3	175.7	-92.1	0	0	0	109.5	F208 F222 R244 C245 I246 A250 C251 I252	F208-F248 HydrophobicContact CE1-CD2 4.05Å; F208-F248 AromaticContact CE1-CE2 3.91Å; F208-F248 HydrophobicContact CE1-CE2 3.91Å; F208-F248 HydrophobicContact CZ-CD2 4.22Å; F222-F248 HydrophobicContact CB-CD2 4.24Å; F222-F248 HydrophobicContact CB-CE2 4.39Å; F222-F248 HydrophobicContact CD1-CB 4.4Å; F222-F248 AromaticContact CD1-CD2 3.91Å; F222-F248 HydrophobicContact CD1-CD2 3.91Å; F222-F248 AromaticContact CD2-CD2 3.74Å; F222-F248 HydrophobicContact CD2-CD2 3.74Å; F222-F248 HydrophobicContact CD2-CE2 4.44Å; F222-F248 HydrophobicContact CE1-CB 3.83Å; F222-F248 HydrophobicContact CE1-CD2 4.14Å; F222-F248 HydrophobicContact CE1-CG 4.46Å; F222-F248 HydrophobicContact CE2-CB 4.23Å; F222-F248 AromaticContact CE2-CD2 3.95Å; F222-F248 HydrophobicContact CE2-CD2 3.95Å; F222-F248 AromaticContact CG-CD2 3.68Å; F222-F248 HydrophobicContact CG-CD2 3.68Å; F222-F248 HydrophobicContact CG-CE2 4.31Å; F222-F248 HydrophobicContact CZ-CB 3.71Å; F222-F248 HydrophobicContact CZ-CD2 4.14Å; F222-F248 HydrophobicContact CZ-CG 4.45Å; R244-F248 HydrophobicContact CB-CB 4.12Å; R244-F248 HydrophobicContact CB-CD1 3.64Å; R244-F248 HydrophobicContact CB-CE1 4.29Å; R244-F248 HydrophobicContact CB-CG 3.97Å; R244-F248 HydrophobicContact CG-CD1 3.61Å; R244-F248 HydrophobicContact CG-CD2 4.46Å; R244-F248 HydrophobicContact CG-CE1 3.79Å; R244-F248 HydrophobicContact CG-CG 3.97Å; R244-F248 HydrophobicContact CG-CZ 4.28Å; C245-F248 VanDerWaalsContact O-CB 3.29Å; C245-F248 WeakPolarHBondContact O-CB 3.3Å; C245-F248 PolarHBondContact O-N 3.1Å; C245-F248 PolarHBondContact SG-N 2.85Å; C245-F248 VanDerWaalsContact SG-N 3.43Å; I246-F248 VanDerWaalsContact C-N 3.33Å; I246-F248 PolarHBondContact O-N 2.66Å; F248-A250 VanDerWaalsContact C-N 3.3Å; F248-A250 PolarHBondContact O-N 3.46Å; F248-C251 WeakPolarHBondContact O-CB 3.13Å; F248-C251 PolarHBondContact O-N 2.67Å; F248-C251 VanDerWaalsContact O-N 3.09Å; F248-I252 HydrophobicContact CD1-CG1 3.84Å; F248-I252 HydrophobicContact CE1-CD1 4.08Å; F248-I252 HydrophobicContact CE1-CG1 3.38Å; F248-I252 HydrophobicContact CE2-CD1 4.14Å; F248-I252 HydrophobicContact CE2-CG1 4.15Å; F248-I252 HydrophobicContact CG-CG1 4.4Å; F248-I252 HydrophobicContact CZ-CD1 3.72Å; F248-I252 HydrophobicContact CZ-CG1 3.57Å; F248-I252 WeakPolarHBondContact O-CG1 3.35Å; F248-I252 PolarHBondContact O-N 3.17Å
249	F	92.3	Very high	80.8	Confident	30 Å²	30	51.1 Å²	51.1	13%	0.132	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-36.5	179.1	-69.1	-69.5	0	0	0	112.6	M159 A161 T165 I169 R244 C245 I246 I252 C253	M159-F249 HydrophobicContact CE-CB 3.84Å; M159-F249 HydrophobicContact CE-CD1 4.21Å; M159-F249 HydrophobicContact CE-CG 4.4Å; M159-F249 HydrophobicContact SD-CB 4.15Å; M159-F249 HydrophobicContact SD-CD1 4.02Å; A161-F249 HydrophobicContact CB-CD1 3.97Å; A161-F249 HydrophobicContact CB-CE1 4.07Å; A161-F249 HydrophobicContact CB-CG 4.35Å; T165-F249 HydrophobicContact CG2-CB 4.24Å; T165-F249 HydrophobicContact CG2-CD2 3.92Å; T165-F249 HydrophobicContact CG2-CG 4.23Å; I169-F249 HydrophobicContact CD1-CB 3.66Å; R244-F249 HydrophobicContact CB-CD2 4.46Å; R244-F249 HydrophobicContact CB-CE2 3.77Å; R244-F249 HydrophobicContact CB-CZ 3.95Å; R244-F249 WeakPolarHBondContact O-CE2 3.41Å; C245-F249 WeakPolarHBondContact O-CD2 3.48Å; C245-F249 PolarHBondContact O-N 2.64Å; I246-F249 PolarHBondContact O-N 3.36Å; F249-I252 PolarHBondContact O-N 3.16Å; F249-C253 VanDerWaalsContact O-CB 3.26Å; F249-C253 WeakPolarHBondContact O-CB 3.34Å; F249-C253 PolarHBondContact O-N 3.05Å
250	A	93.9	Very high	83.4	Confident	3 Å²	3	49.7 Å²	49.7	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-59.3	-46.1	172.1	0	0	0	0	0	112	L180 V181 V191 I246 F248 A254	L180-A250 HydrophobicContact CD2-CB 4.15Å; L180-A250 HydrophobicContact CG-CB 4.43Å; V181-A250 HydrophobicContact CG2-CB 4Å; V191-A250 HydrophobicContact CG1-CB 3.92Å; I246-A250 PolarHBondContact O-N 3.27Å; F248-A250 VanDerWaalsContact C-N 3.3Å; F248-A250 PolarHBondContact O-N 3.46Å; A250-A254 WeakPolarHBondContact O-CB 2.99Å; A250-A254 PolarHBondContact O-N 2.96Å
251	C	94.1	Very high	85.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.6	-44.4	176.4	-69.4	0	0	0	0	112.5	V191 F208 H247 F248 C253 A254 F255	V191-C251 WeakPolarHBondContact CG2-SG 3.42Å; F208-C251 HydrophobicContact CE2-CB 3.68Å; F208-C251 HydrophobicContact CZ-CB 3.49Å; F208-C251 VanDerWaalsContact CZ-CB 3.49Å; H247-C251 PolarHBondContact O-N 3.09Å; H247-C251 PolarHBondContact O-SG 3.2Å; H247-C251 VanDerWaalsContact O-SG 3.33Å; F248-C251 WeakPolarHBondContact O-CB 3.13Å; F248-C251 PolarHBondContact O-N 2.67Å; F248-C251 VanDerWaalsContact O-N 3.09Å; C251-C253 VanDerWaalsContact C-N 3.33Å; C251-C253 PolarHBondContact O-N 3.43Å; C251-A254 WeakPolarHBondContact O-CB 3.43Å; C251-A254 PolarHBondContact O-N 3.48Å; C251-F255 HydrophobicContact CB-CE2 4.06Å; C251-F255 HydrophobicContact CB-CZ 4Å; C251-F255 WeakPolarHBondContact O-CD1 2.96Å; C251-F255 WeakPolarHBondContact O-CD2 3.38Å; C251-F255 WeakPolarHBondContact O-CG 3.38Å; C251-F255 PolarHBondContact O-N 3.2Å
252	I	92.8	Very high	88	Confident	20 Å²	20	40.8 Å²	40.8	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-43.7	177.2	-67.5	-54.5	0	0	0	111.2	M159 F208 F248 F249 A254 F255 A256 F268 L269	M159-I252 HydrophobicContact SD-CG2 4.34Å; F208-I252 HydrophobicContact CE1-CD1 4.46Å; F248-I252 HydrophobicContact CD1-CG1 3.84Å; F248-I252 HydrophobicContact CE1-CD1 4.08Å; F248-I252 HydrophobicContact CE1-CG1 3.38Å; F248-I252 HydrophobicContact CE2-CD1 4.14Å; F248-I252 HydrophobicContact CE2-CG1 4.15Å; F248-I252 HydrophobicContact CG-CG1 4.4Å; F248-I252 HydrophobicContact CZ-CD1 3.72Å; F248-I252 HydrophobicContact CZ-CG1 3.57Å; F248-I252 WeakPolarHBondContact O-CG1 3.35Å; F248-I252 PolarHBondContact O-N 3.17Å; F249-I252 PolarHBondContact O-N 3.16Å; I252-A254 VanDerWaalsContact C-N 3.31Å; I252-A254 PolarHBondContact O-N 2.77Å; I252-F255 HydrophobicContact CD1-CD2 4.17Å; I252-F255 PolarHBondContact O-N 3.29Å; I252-A256 WeakPolarHBondContact O-CB 3.44Å; I252-A256 PolarHBondContact O-N 3.34Å; I252-F268 HydrophobicContact CD1-CB 4.04Å; I252-L269 HydrophobicContact CD1-CD2 4.2Å; I252-L269 HydrophobicContact CG2-CD2 3.75Å
253	C	93.1	Very high	89.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.007	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-39.9	176.1	-167.7	0	0	0	0	111.8	L151 L156 M159 F249 C251 S257	L151-C253 HydrophobicContact CD1-CB 4.02Å; L151-C253 HydrophobicContact CG-CB 4.39Å; L151-C253 VanDerWaalsContact CG-SG 3.55Å; L156-C253 VanDerWaalsContact CA-SG 3.55Å; M159-C253 HydrophobicContact CE-CB 4.47Å; M159-C253 HydrophobicContact SD-CB 4.02Å; F249-C253 VanDerWaalsContact O-CB 3.26Å; F249-C253 WeakPolarHBondContact O-CB 3.34Å; F249-C253 PolarHBondContact O-N 3.05Å; C251-C253 VanDerWaalsContact C-N 3.33Å; C251-C253 PolarHBondContact O-N 3.43Å; C253-S257 WeakPolarHBondContact O-CB 3.3Å; C253-S257 PolarHBondContact O-N 2.86Å; C253-S257 VanDerWaalsContact O-N 3.16Å; C253-S257 PolarHBondContact O-OG 3.3Å
254	A	93.8	Very high	91.1	Very high	1 Å²	1	40 Å²	40	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-41.9	175.3	0	0	0	0	0	112	L149 V181 A250 C251 I252 S257	L149-A254 HydrophobicContact CB-CB 3.92Å; L149-A254 HydrophobicContact CD1-CB 4.16Å; V181-A254 HydrophobicContact CB-CB 4.14Å; V181-A254 HydrophobicContact CG1-CB 4.37Å; V181-A254 HydrophobicContact CG2-CB 4.17Å; A250-A254 WeakPolarHBondContact O-CB 2.99Å; A250-A254 PolarHBondContact O-N 2.96Å; C251-A254 WeakPolarHBondContact O-CB 3.43Å; C251-A254 PolarHBondContact O-N 3.48Å; I252-A254 VanDerWaalsContact C-N 3.31Å; I252-A254 PolarHBondContact O-N 2.77Å; A254-S257 WeakPolarHBondContact O-CB 3.15Å; A254-S257 PolarHBondContact O-N 3.29Å
255	F	94.1	Very high	91.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.2	-44.6	177.4	-59.7	-22.9	0	0	0	112	L149 L189 F208 C251 I252 S257 D258 L261 A262 F265 L269	L149-F255 HydrophobicContact CD1-CD1 4.31Å; L149-F255 HydrophobicContact CD1-CE1 4.08Å; L189-F255 HydrophobicContact CD1-CE1 4.37Å; L189-F255 HydrophobicContact CD1-CZ 3.91Å; L189-F255 HydrophobicContact CD2-CE1 3.67Å; L189-F255 HydrophobicContact CD2-CZ 3.97Å; F208-F255 HydrophobicContact CD1-CE2 4.12Å; F208-F255 HydrophobicContact CD2-CE2 4.26Å; F208-F255 HydrophobicContact CD2-CZ 4.1Å; F208-F255 AromaticContact CE1-CE2 3.85Å; F208-F255 HydrophobicContact CE1-CE2 3.85Å; F208-F255 HydrophobicContact CE2-CE2 4.01Å; F208-F255 AromaticContact CE2-CZ 3.95Å; F208-F255 HydrophobicContact CE2-CZ 3.95Å; F208-F255 HydrophobicContact CG-CE2 4.32Å; F208-F255 HydrophobicContact CG-CZ 4.49Å; F208-F255 AromaticContact CZ-CE2 3.8Å; F208-F255 HydrophobicContact CZ-CE2 3.8Å; F208-F255 HydrophobicContact CZ-CZ 4.2Å; C251-F255 HydrophobicContact CB-CE2 4.06Å; C251-F255 HydrophobicContact CB-CZ 4Å; C251-F255 WeakPolarHBondContact O-CD1 2.96Å; C251-F255 WeakPolarHBondContact O-CD2 3.38Å; C251-F255 WeakPolarHBondContact O-CG 3.38Å; C251-F255 PolarHBondContact O-N 3.2Å; I252-F255 HydrophobicContact CD1-CD2 4.17Å; I252-F255 PolarHBondContact O-N 3.29Å; F255-S257 PolarHBondContact O-N 2.91Å; F255-D258 PolarHBondContact O-N 2.92Å; F255-L261 HydrophobicContact CB-CB 4.4Å; F255-L261 HydrophobicContact CD1-CB 4.29Å; F255-L261 HydrophobicContact CD1-CD1 4.47Å; F255-A262 PolarHBondContact O-N 3.04Å; F255-F265 HydrophobicContact CB-CB 4.37Å; F255-F265 AromaticContact CD1-CD2 3.8Å; F255-F265 HydrophobicContact CD1-CD2 3.8Å; F255-F265 HydrophobicContact CD1-CE2 4.17Å; F255-F265 HydrophobicContact CD1-CG 4.32Å; F255-F265 HydrophobicContact CD2-CB 3.6Å; F255-F265 HydrophobicContact CD2-CD1 4.27Å; F255-F265 HydrophobicContact CD2-CD2 4.04Å; F255-F265 AromaticContact CD2-CG 3.71Å; F255-F265 HydrophobicContact CD2-CG 3.71Å; F255-F265 AromaticContact CE1-CD2 3.82Å; F255-F265 HydrophobicContact CE1-CD2 3.82Å; F255-F265 AromaticContact CE1-CE2 3.8Å; F255-F265 HydrophobicContact CE1-CE2 3.8Å; F255-F265 HydrophobicContact CE1-CG 4.29Å; F255-F265 HydrophobicContact CE1-CZ 4.24Å; F255-F265 HydrophobicContact CE2-CB 4.01Å; F255-F265 AromaticContact CE2-CD1 3.78Å; F255-F265 HydrophobicContact CE2-CD1 3.78Å; F255-F265 HydrophobicContact CE2-CD2 4.06Å; F255-F265 HydrophobicContact CE2-CE1 4.26Å; F255-F265 AromaticContact CE2-CG 3.67Å; F255-F265 HydrophobicContact CE2-CG 3.67Å; F255-F265 HydrophobicContact CG-CB 4.01Å; F255-F265 AromaticContact CG-CD2 3.92Å; F255-F265 HydrophobicContact CG-CD2 3.92Å; F255-F265 HydrophobicContact CG-CG 4.05Å; F255-F265 HydrophobicContact CZ-CD1 4.02Å; F255-F265 AromaticContact CZ-CD2 3.95Å; F255-F265 HydrophobicContact CZ-CD2 3.95Å; F255-F265 HydrophobicContact CZ-CE1 4.05Å; F255-F265 AromaticContact CZ-CE2 3.98Å; F255-F265 HydrophobicContact CZ-CE2 3.98Å; F255-F265 AromaticContact CZ-CG 3.97Å; F255-F265 HydrophobicContact CZ-CG 3.97Å; F255-F265 HydrophobicContact CZ-CZ 4.03Å; F255-L269 HydrophobicContact CB-CD2 4.32Å
256	A	92.3	Very high	91.2	Very high	43 Å²	43	37.9 Å²	37.9	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-72.7	-11.3	177.9	0	0	0	0	0	113.5	V155 I252 L269	V155-A256 HydrophobicContact CG1-CB 3.56Å; I252-A256 WeakPolarHBondContact O-CB 3.44Å; I252-A256 PolarHBondContact O-N 3.34Å; A256-L269 HydrophobicContact CB-CD1 4.41Å; A256-L269 HydrophobicContact CB-CD2 4.13Å
257	S	92.9	Very high	90.8	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-80.7	-16.6	175.8	-65.2	0	0	0	0	113.4	T150 K152 C253 A254 F255	T150-S257 WeakPolarHBondContact O-CB 3.37Å; K152-S257 WeakPolarHBondContact CD-O 3.47Å; K152-S257 VanDerWaalsContact CE-O 3.26Å; K152-S257 WeakPolarHBondContact CE-O 3.26Å; K152-S257 PolarHBondContact N-OG 2.9Å; K152-S257 PolarHBondContact NZ-O 2.77Å; C253-S257 WeakPolarHBondContact O-CB 3.3Å; C253-S257 PolarHBondContact O-N 2.86Å; C253-S257 VanDerWaalsContact O-N 3.16Å; C253-S257 PolarHBondContact O-OG 3.3Å; A254-S257 WeakPolarHBondContact O-CB 3.15Å; A254-S257 PolarHBondContact O-N 3.29Å; F255-S257 PolarHBondContact O-N 2.91Å
258	D	92.3	Very high	90.3	Very high	56 Å²	56	37.3 Å²	37.3	30%	0.299	20%	0.2	S	C	.	.	S	Bend	trans	-128.5	126.3	-176.8	-176.3	-70.7	0	0	0	110.6	F255 T260 L261 A262	F255-D258 PolarHBondContact O-N 2.92Å; D258-T260 VanDerWaalsContact C-N 3.3Å; D258-T260 PolarHBondContact O-N 2.97Å; D258-T260 WeakPolarHBondContact OD1-CA 3.22Å; D258-T260 WeakPolarHBondContact OD1-CB 3.32Å; D258-T260 PolarHBondContact OD1-N 2.7Å; D258-T260 PolarHBondContact OD1-OG1 3.25Å; D258-L261 HydrophobicContact CB-CB 4.14Å; D258-L261 HydrophobicContact CB-CD1 3.94Å; D258-L261 HydrophobicContact CB-CG 4.11Å; D258-L261 PolarHBondContact O-N 3.28Å; D258-L261 PolarHBondContact OD1-N 2.82Å; D258-L261 VanDerWaalsContact OD1-N 3.13Å; D258-A262 VanDerWaalsContact O-CB 3.3Å; D258-A262 WeakPolarHBondContact O-CB 3.39Å; D258-A262 PolarHBondContact O-N 2.75Å
259	E	89.8	Confident	89.8	Confident	174 Å²	174	39 Å²	39	81%	0.813	21%	0.209	S	C	*	.	H	α-helix	trans	-63.8	-33.8	-174.6	-66.2	177.7	-177.3	0	0	113	A262 Q263	E259-A262 PolarHBondContact O-N 3.42Å; E259-Q263 PolarHBondContact O-N 2.92Å
260	T	91.3	Very high	88.7	Confident	102 Å²	102	42.2 Å²	42.2	63%	0.626	23%	0.228	S	C	*	.	H	α-helix	trans	-71.2	-41.1	-179.8	71.5	0	0	0	0	111.2	D258 Q263 E264	D258-T260 VanDerWaalsContact C-N 3.3Å; D258-T260 PolarHBondContact O-N 2.97Å; D258-T260 WeakPolarHBondContact OD1-CA 3.22Å; D258-T260 WeakPolarHBondContact OD1-CB 3.32Å; D258-T260 PolarHBondContact OD1-N 2.7Å; D258-T260 PolarHBondContact OD1-OG1 3.25Å; T260-Q263 PolarHBondContact O-N 3.32Å; T260-E264 WeakPolarHBondContact O-CB 3.49Å; T260-E264 PolarHBondContact O-N 3.47Å
261	L	89.6	Confident	86.8	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.063	24%	0.244	C	C	.	.	H	α-helix	trans	-72.1	-35.5	175.4	-63	176.7	0	0	0	111.4	L149 F255 D258 Q263 E264 F265	L149-L261 HydrophobicContact CD1-CD1 3.94Å; L149-L261 HydrophobicContact CD2-CD1 3.7Å; L149-L261 HydrophobicContact CG-CD1 4.33Å; F255-L261 HydrophobicContact CB-CB 4.4Å; F255-L261 HydrophobicContact CD1-CB 4.29Å; F255-L261 HydrophobicContact CD1-CD1 4.47Å; D258-L261 HydrophobicContact CB-CB 4.14Å; D258-L261 HydrophobicContact CB-CD1 3.94Å; D258-L261 HydrophobicContact CB-CG 4.11Å; D258-L261 PolarHBondContact O-N 3.28Å; D258-L261 PolarHBondContact OD1-N 2.82Å; D258-L261 VanDerWaalsContact OD1-N 3.13Å; L261-Q263 VanDerWaalsContact C-N 3.27Å; L261-Q263 PolarHBondContact O-N 3.42Å; L261-E264 PolarHBondContact O-N 3.08Å; L261-F265 HydrophobicContact CD2-CE2 4.22Å; L261-F265 WeakPolarHBondContact O-CB 3.5Å; L261-F265 WeakPolarHBondContact O-CD2 3.31Å; L261-F265 PolarHBondContact O-N 3.27Å
262	A	88.8	Confident	84.6	Confident	26 Å²	26	48.4 Å²	48.4	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-39.5	174.5	0	0	0	0	0	111.3	F255 D258 E259 F265 S266 L269	F255-A262 PolarHBondContact O-N 3.04Å; D258-A262 VanDerWaalsContact O-CB 3.3Å; D258-A262 WeakPolarHBondContact O-CB 3.39Å; D258-A262 PolarHBondContact O-N 2.75Å; E259-A262 PolarHBondContact O-N 3.42Å; A262-F265 CarbonylContact O-C 3.52Å; A262-S266 WeakPolarHBondContact O-CA 3.3Å; A262-S266 VanDerWaalsContact O-CB 3.28Å; A262-S266 WeakPolarHBondContact O-CB 3.39Å; A262-S266 PolarHBondContact O-N 3.14Å; A262-L269 HydrophobicContact CB-CD1 3.73Å
263	Q	87.1	Confident	82.2	Confident	144 Å²	144	50.9 Å²	50.9	67%	0.673	28%	0.276	S	S	*	.	H	α-helix	trans	-68.7	-45.5	174	-170	61.9	24.1	0	0	111.9	E259 T260 L261 F265 S266	E259-Q263 PolarHBondContact O-N 2.92Å; T260-Q263 PolarHBondContact O-N 3.32Å; L261-Q263 VanDerWaalsContact C-N 3.27Å; L261-Q263 PolarHBondContact O-N 3.42Å; Q263-F265 VanDerWaalsContact C-N 3.34Å; Q263-F265 PolarHBondContact O-N 2.88Å; Q263-S266 WeakPolarHBondContact O-CB 3.39Å; Q263-S266 PolarHBondContact O-N 3.49Å; Q263-S266 PolarHBondContact O-OG 2.92Å
264	E	87.4	Confident	79.4	Confident	62 Å²	62	57 Å²	57	29%	0.29	32%	0.319	S	S	.	.	H	α-helix	trans	-62.7	-39.1	-179.6	-176.2	174.5	-169.5	0	0	112.7	R183 K186 T260 L261	R183-E264 IonicContact CZ-OE1 3.75Å; R183-E264 IonicContact CZ-OE2 3.26Å; R183-E264 VanDerWaalsContact CZ-OE2 3.26Å; R183-E264 IonicContact NH1-OE1 3.92Å; R183-E264 IonicContact NH1-OE2 2.74Å; R183-E264 PolarHBondContact NH1-OE2 3.21Å; R183-E264 IonicContact NH2-OE1 2.7Å; R183-E264 PolarHBondContact NH2-OE1 2.91Å; R183-E264 IonicContact NH2-OE2 3.43Å; R183-E264 PolarHBondContact NH2-OE2 3.12Å; K186-E264 WeakPolarHBondContact CE-OE1 3.44Å; K186-E264 WeakPolarHBondContact CG-OE1 3.49Å; T260-E264 WeakPolarHBondContact O-CB 3.49Å; T260-E264 PolarHBondContact O-N 3.47Å; L261-E264 PolarHBondContact O-N 3.08Å
265	F	87.8	Confident	76.6	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.031	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	21.9	-178.6	-63.5	-82.1	0	0	0	112.6	F208 F255 L261 A262 Q263 D267 F268 L269	F208-F265 HydrophobicContact CB-CD1 4.29Å; F208-F265 HydrophobicContact CB-CE1 3.88Å; F208-F265 HydrophobicContact CG-CE1 4.35Å; F255-F265 HydrophobicContact CB-CB 4.37Å; F255-F265 AromaticContact CD1-CD2 3.8Å; F255-F265 HydrophobicContact CD1-CD2 3.8Å; F255-F265 HydrophobicContact CD1-CE2 4.17Å; F255-F265 HydrophobicContact CD1-CG 4.32Å; F255-F265 HydrophobicContact CD2-CB 3.6Å; F255-F265 HydrophobicContact CD2-CD1 4.27Å; F255-F265 HydrophobicContact CD2-CD2 4.04Å; F255-F265 AromaticContact CD2-CG 3.71Å; F255-F265 HydrophobicContact CD2-CG 3.71Å; F255-F265 AromaticContact CE1-CD2 3.82Å; F255-F265 HydrophobicContact CE1-CD2 3.82Å; F255-F265 AromaticContact CE1-CE2 3.8Å; F255-F265 HydrophobicContact CE1-CE2 3.8Å; F255-F265 HydrophobicContact CE1-CG 4.29Å; F255-F265 HydrophobicContact CE1-CZ 4.24Å; F255-F265 HydrophobicContact CE2-CB 4.01Å; F255-F265 AromaticContact CE2-CD1 3.78Å; F255-F265 HydrophobicContact CE2-CD1 3.78Å; F255-F265 HydrophobicContact CE2-CD2 4.06Å; F255-F265 HydrophobicContact CE2-CE1 4.26Å; F255-F265 AromaticContact CE2-CG 3.67Å; F255-F265 HydrophobicContact CE2-CG 3.67Å; F255-F265 HydrophobicContact CG-CB 4.01Å; F255-F265 AromaticContact CG-CD2 3.92Å; F255-F265 HydrophobicContact CG-CD2 3.92Å; F255-F265 HydrophobicContact CG-CG 4.05Å; F255-F265 HydrophobicContact CZ-CD1 4.02Å; F255-F265 AromaticContact CZ-CD2 3.95Å; F255-F265 HydrophobicContact CZ-CD2 3.95Å; F255-F265 HydrophobicContact CZ-CE1 4.05Å; F255-F265 AromaticContact CZ-CE2 3.98Å; F255-F265 HydrophobicContact CZ-CE2 3.98Å; F255-F265 AromaticContact CZ-CG 3.97Å; F255-F265 HydrophobicContact CZ-CG 3.97Å; F255-F265 HydrophobicContact CZ-CZ 4.03Å; L261-F265 HydrophobicContact CD2-CE2 4.22Å; L261-F265 WeakPolarHBondContact O-CB 3.5Å; L261-F265 WeakPolarHBondContact O-CD2 3.31Å; L261-F265 PolarHBondContact O-N 3.27Å; A262-F265 CarbonylContact O-C 3.52Å; Q263-F265 VanDerWaalsContact C-N 3.34Å; Q263-F265 PolarHBondContact O-N 2.88Å; F265-D267 PolarHBondContact O-N 3.22Å; F265-D267 VanDerWaalsContact O-N 3.14Å; F265-F268 HydrophobicContact CB-CD2 4.33Å; F265-F268 AromaticContact CD1-CD2 3.9Å; F265-F268 HydrophobicContact CD1-CD2 3.9Å; F265-F268 HydrophobicContact CD1-CE2 4.22Å; F265-F268 WeakPolarHBondContact O-CA 3.47Å; F265-F268 WeakPolarHBondContact O-CB 3.49Å; F265-F268 PolarHBondContact O-N 3.27Å; F265-L269 PolarHBondContact O-N 3.44Å; F265-L269 VanDerWaalsContact O-N 3.1Å
266	S	85.9	Confident	73.7	Confident	28 Å²	28	64.3 Å²	64.3	20%	0.196	37%	0.371	C	S	.	.	H	α-helix	trans	-53.6	-36.5	-179.9	53	0	0	0	0	112.2	A262 Q263 F268 L269 N270	A262-S266 WeakPolarHBondContact O-CA 3.3Å; A262-S266 VanDerWaalsContact O-CB 3.28Å; A262-S266 WeakPolarHBondContact O-CB 3.39Å; A262-S266 PolarHBondContact O-N 3.14Å; Q263-S266 WeakPolarHBondContact O-CB 3.39Å; Q263-S266 PolarHBondContact O-N 3.49Å; Q263-S266 PolarHBondContact O-OG 2.92Å; S266-F268 PolarHBondContact O-N 2.75Å; S266-L269 PolarHBondContact O-N 2.8Å; S266-L269 VanDerWaalsContact O-N 3.17Å; S266-N270 VanDerWaalsContact O-CB 3.3Å; S266-N270 WeakPolarHBondContact O-CB 3.44Å; S266-N270 VanDerWaalsContact O-CG 3.24Å; S266-N270 PolarHBondContact O-N 3.14Å; S266-N270 PolarHBondContact O-ND2 3.38Å; S266-N270 VanDerWaalsContact O-ND2 3.11Å
267	D	81.5	Confident	70.7	Confident	38 Å²	38	71.8 Å²	71.8	20%	0.203	40%	0.395	C	S	.	.	H	α-helix	trans	-57.6	-30.9	172.6	-78.3	-61.8	0	0	0	114.5	Q210 R220 F265	Q210-D267 PolarHBondContact NE2-OD2 2.84Å; R220-D267 WeakPolarHBondContact CD-O 3.21Å; R220-D267 IonicContact CZ-OD1 3.84Å; R220-D267 VanDerWaalsContact CZ-OD1 3.3Å; R220-D267 PolarHBondContact NE-O 3.5Å; R220-D267 IonicContact NE-OD1 2.79Å; R220-D267 PolarHBondContact NE-OD1 3.36Å; R220-D267 PolarHBondContact NH1-O 2.77Å; R220-D267 IonicContact NH2-OD1 3.78Å; R220-D267 PolarHBondContact NH2-OD1 3.49Å; F265-D267 PolarHBondContact O-N 3.22Å; F265-D267 VanDerWaalsContact O-N 3.14Å
268	F	82.8	Confident	67.6	Low	21 Å²	21	80 Å²	80	9%	0.092	43%	0.433	C	S	.	.	H	α-helix	trans	-91	-24.7	176.8	-64.8	-84.3	0	0	0	112.5	F208 R220 I252 F265 S266	F208-F268 HydrophobicContact CB-CE1 4.47Å; F208-F268 HydrophobicContact CB-CE2 4.04Å; F208-F268 HydrophobicContact CB-CZ 3.95Å; F208-F268 HydrophobicContact CD1-CB 4.5Å; F208-F268 AromaticContact CD1-CD1 3.67Å; F208-F268 HydrophobicContact CD1-CD1 3.67Å; F208-F268 HydrophobicContact CD1-CD2 4.09Å; F208-F268 AromaticContact CD1-CE1 3.77Å; F208-F268 HydrophobicContact CD1-CE1 3.77Å; F208-F268 HydrophobicContact CD1-CE2 4.19Å; F208-F268 AromaticContact CD1-CG 3.83Å; F208-F268 HydrophobicContact CD1-CG 3.83Å; F208-F268 HydrophobicContact CD1-CZ 4.03Å; F208-F268 HydrophobicContact CE1-CD1 4.2Å; F208-F268 HydrophobicContact CE1-CG 4.37Å; R220-F268 HydrophobicContact CB-CE1 4Å; R220-F268 HydrophobicContact CB-CZ 4.31Å; I252-F268 HydrophobicContact CD1-CB 4.04Å; F265-F268 HydrophobicContact CB-CD2 4.33Å; F265-F268 AromaticContact CD1-CD2 3.9Å; F265-F268 HydrophobicContact CD1-CD2 3.9Å; F265-F268 HydrophobicContact CD1-CE2 4.22Å; F265-F268 WeakPolarHBondContact O-CA 3.47Å; F265-F268 WeakPolarHBondContact O-CB 3.49Å; F265-F268 PolarHBondContact O-N 3.27Å; S266-F268 PolarHBondContact O-N 2.75Å
269	L	82.1	Confident	64.6	Low	47 Å²	47	84.3 Å²	84.3	25%	0.246	45%	0.454	C	S	.	.	H	α-helix	trans	-76.4	-38.5	174.5	-63.9	-177.8	0	0	0	112.4	I252 F255 A256 A262 F265 S266 F271	I252-L269 HydrophobicContact CD1-CD2 4.2Å; I252-L269 HydrophobicContact CG2-CD2 3.75Å; F255-L269 HydrophobicContact CB-CD2 4.32Å; A256-L269 HydrophobicContact CB-CD1 4.41Å; A256-L269 HydrophobicContact CB-CD2 4.13Å; A262-L269 HydrophobicContact CB-CD1 3.73Å; F265-L269 PolarHBondContact O-N 3.44Å; F265-L269 VanDerWaalsContact O-N 3.1Å; S266-L269 PolarHBondContact O-N 2.8Å; S266-L269 VanDerWaalsContact O-N 3.17Å; L269-F271 VanDerWaalsContact C-N 3.31Å; L269-F271 PolarHBondContact O-N 3.26Å
270	N	69.8	Low	61.7	Low	98 Å²	98	82.5 Å²	82.5	52%	0.524	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-84.1	4.6	-174.3	-67.4	-32.9	0	0	0	114.6	S266 D272 S273	S266-N270 VanDerWaalsContact O-CB 3.3Å; S266-N270 WeakPolarHBondContact O-CB 3.44Å; S266-N270 VanDerWaalsContact O-CG 3.24Å; S266-N270 PolarHBondContact O-N 3.14Å; S266-N270 PolarHBondContact O-ND2 3.38Å; S266-N270 VanDerWaalsContact O-ND2 3.11Å; N270-D272 VanDerWaalsContact C-N 3.32Å; N270-D272 PolarHBondContact O-N 3.41Å; N270-S273 WeakPolarHBondContact O-CB 3.28Å; N270-S273 PolarHBondContact O-N 2.94Å; N270-S273 PolarHBondContact O-OG 3.25Å; N270-S273 VanDerWaalsContact O-OG 3.13Å
271	F	53.2	Low	58.8	Low	80 Å²	80	82.9 Å²	82.9	35%	0.351	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-75.7	-19.1	-175.5	-170	-83.3	0	0	0	113.1	E240 L269	E240-F271 HydrophobicContact CB-CZ 4.42Å; E240-F271 WeakPolarHBondContact O-CE1 3.43Å; L269-F271 VanDerWaalsContact C-N 3.31Å; L269-F271 PolarHBondContact O-N 3.26Å
272	D	48	Very low	55.8	Low	54 Å²	54	87.8 Å²	87.8	29%	0.289	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-92.6	7.1	174.4	-74.1	-4.2	0	0	0	113.3	R244 N270 S274 G275	R244-D272 IonicContact CZ-OD1 3.33Å; R244-D272 IonicContact CZ-OD2 3.97Å; R244-D272 VanDerWaalsContact NH1-CG 3.26Å; R244-D272 IonicContact NH1-OD1 2.88Å; R244-D272 PolarHBondContact NH1-OD1 2.88Å; R244-D272 IonicContact NH1-OD2 2.86Å; R244-D272 PolarHBondContact NH1-OD2 3.37Å; R244-D272 IonicContact NH2-OD1 2.85Å; R244-D272 PolarHBondContact NH2-OD1 3.04Å; N270-D272 VanDerWaalsContact C-N 3.32Å; N270-D272 PolarHBondContact O-N 3.41Å; D272-S274 PolarHBondContact O-N 2.9Å; D272-S274 VanDerWaalsContact O-N 3.15Å; D272-G275 PolarHBondContact O-N 3.1Å
273	S	42.4	Very low	52.8	Low	72 Å²	72	95.3 Å²	95.3	50%	0.503	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	6.9	-174.6	-50.8	0	0	0	0	115.1	N270 G275	N270-S273 WeakPolarHBondContact O-CB 3.28Å; N270-S273 PolarHBondContact O-N 2.94Å; N270-S273 PolarHBondContact O-OG 3.25Å; N270-S273 VanDerWaalsContact O-OG 3.13Å; S273-G275 PolarHBondContact O-N 2.9Å
274	S	34.3	Very low	50	Low	128 Å²	128	96.6 Å²	96.6	90%	0.895	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-1.1	163.4	54.4	0	0	0	0	112.8	D272	D272-S274 PolarHBondContact O-N 2.9Å; D272-S274 VanDerWaalsContact O-N 3.15Å
275	G	35.5	Very low	46.9	Very low	55 Å²	55	96.9 Å²	96.9	57%	0.567	54%	0.544	S	S	*	.	S	Bend	trans	-152.3	34.5	-178.1	0	0	0	0	0	116.5	D272 S273	D272-G275 PolarHBondContact O-N 3.1Å; S273-G275 PolarHBondContact O-N 2.9Å
276	L	33.7	Very low	43.8	Very low	101 Å²	101	102.6 Å²	102.6	53%	0.529	58%	0.584	S	S	.	*			trans	-138.7	130.4	162.8	-81	-173.7	0	0	0	112.6	Q160	Q160-L276 HydrophobicContact CG-CD1 4.23Å; Q160-L276 VanDerWaalsContact NE2-CG 3.34Å
277	K	28.3	Very low	40.9	Very low	199 Å²	199	109.8 Å²	109.8	87%	0.865	61%	0.614	S	S	*	*			trans	-56.7	142.1	160.8	-69.4	179.8	175.1	-178.7	0	109.1	I279	K277-I279 PolarHBondContact O-N 3.06Å
278	E	27.4	Very low	38.2	Very low	175 Å²	175	113.9 Å²	113.9	82%	0.818	65%	0.646	S	S	*	*			trans	-35.7	123.2	174.2	-72.5	172.3	134.6	0	0	112.5	I280	E278-I280 VanDerWaalsContact C-N 3.3Å; E278-I280 PolarHBondContact O-N 3.17Å; E278-I280 VanDerWaalsContact O-N 3.09Å
279	I	30.4	Very low	35.3	Very low	147 Å²	147	121.7 Å²	121.7	75%	0.754	68%	0.682	S	S	*	*			trans	-72.8	98.3	156.5	-65.3	174.1	0	0	0	105.2	K277 V281	K277-I279 PolarHBondContact O-N 3.06Å; I279-V281 PolarHBondContact O-N 3.04Å
280	I	29.4	Very low	32.6	Very low	137 Å²	137	124.8 Å²	124.8	70%	0.703	71%	0.708	S	S	*	*			trans	-61	115.6	167.6	-65.8	169.4	0	0	0	107	E278 P282	E278-I280 VanDerWaalsContact C-N 3.3Å; E278-I280 PolarHBondContact O-N 3.17Å; E278-I280 VanDerWaalsContact O-N 3.09Å; I280-P282 WeakPolarHBondContact O-CD 3.12Å
281	V	29.1	Very low	30.4	Very low	109 Å²	109	125.2 Å²	125.2	66%	0.661	71%	0.714	S	S	*	*			trans	-58.4	124.3	161.6	175	0	0	0	0	107.3	I279 Q283	I279-V281 PolarHBondContact O-N 3.04Å; V281-Q283 VanDerWaalsContact C-N 3.31Å; V281-Q283 PolarHBondContact O-N 3.42Å
282	P	26.7	Very low	29	Very low	116 Å²	116	127.5 Å²	127.5	75%	0.753	74%	0.735	S	S	*	*			trans	-69.1	94.7	167.2	-12.6	28	0	0	0	107.9	I280 L284	I280-P282 WeakPolarHBondContact O-CD 3.12Å; P282-L284 PolarHBondContact O-N 3Å; P282-L284 VanDerWaalsContact O-N 3.16Å
283	Q	26.5	Very low	27.9	Very low	183 Å²	183	130.3 Å²	130.3	86%	0.855	76%	0.758	S	S	*	*			trans	-69.1	106.2	159.4	-82	-164.7	-55.1	0	0	107.3	V281 G285	V281-Q283 VanDerWaalsContact C-N 3.31Å; V281-Q283 PolarHBondContact O-N 3.42Å; Q283-G285 PolarHBondContact O-N 2.62Å
284	L	27.2	Very low	27	Very low	171 Å²	171	130.5 Å²	130.5	90%	0.895	77%	0.765	S	S	*	*			trans	-63.8	111.9	163.3	-139.8	77.4	0	0	0	106.9	P282	P282-L284 PolarHBondContact O-N 3Å; P282-L284 VanDerWaalsContact O-N 3.16Å
285	G	22.9	Very low	26.4	Very low	68 Å²	68	129.6 Å²	129.6	70%	0.701	76%	0.757	S	S	*	*			trans	-65.8	132.6	177	0	0	0	0	0	111.2	Q283	Q283-G285 PolarHBondContact O-N 2.62Å
286	C	23.1	Very low	25.9	Very low	128 Å²	128	134.9 Å²	134.9	87%	0.865	77%	0.767	S	S	*	*			trans	-128.6	108.6	151.8	-120.5	0	0	0	0	106.6
287	H	24.1	Very low	25.4	Very low	178 Å²	178	135 Å²	135	82%	0.824	78%	0.777	S	S	*	*			trans	-62.1	136.9	167.6	-75.7	-98.4	0	0	0	109.4
288	S	24.8	Very low	25.2	Very low	125 Å²	125	132.2 Å²	132.2	87%	0.874	78%	0.776	S	S	*	*			trans	-152.3	130.7	136.2	-84.3	0	0	0	0	109.4
289	E	23.2	Very low	25.2	Very low	184 Å²	184	127.9 Å²	127.9	86%	0.86	77%	0.77	S	S	*	*			trans	-74.7	175.4	-174.7	-61.3	175.2	122.4	0	0	112.8
290	S	24.8	Very low	25	Very low	113 Å²	113	125.5 Å²	125.5	79%	0.79	77%	0.767	S	S	*	*			trans	93.9	134.4	153.8	-168.2	0	0	0	0	116.1
291	T	22.8	Very low	24.9	Very low	106 Å²	106	127.7 Å²	127.7	65%	0.65	77%	0.771	S	S	*	*			cis	-171	170.7	-8.8	-73.9	0	0	0	0	106.1
292	V	24.7	Very low	24.7	Very low	129 Å²	129	127.2 Å²	127.2	78%	0.782	77%	0.772	S	S	*	*			trans	70.8	114.2	157.1	-93.1	0	0	0	0	118.2
293	S	24.9	Very low	24.8	Very low	112 Å²	112	130.4 Å²	130.4	78%	0.783	77%	0.774	S	S	*	*				103.1	141.7	75.9	180	0	0	0	0	109.4
294	A	22.1	Very low	24.8	Very low	77 Å²	77	129.8 Å²	129.8	64%	0.636	77%	0.769	S	S	*	*			cis	-168.8	163.8	-7	0	0	0	0	0	106.9
295	C	22.6	Very low	24.9	Very low	109 Å²	109	132.2 Å²	132.2	74%	0.736	77%	0.766	S	S	*	*			trans	57.1	145.9	150.4	-81.9	0	0	0	0	119.7
296	E	24.3	Very low	25.1	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	77%	0.77	S	S	*	*			cis	-162.2	140	13.3	-133.3	158.4	-164.1	0	0	111.8
297	S	24.3	Very low	25.3	Very low	104 Å²	104	141 Å²	141	73%	0.727	77%	0.765	S	S	*	*			trans	-5.3	144.4	148.6	-46.4	0	0	0	0	121.7
298	T	24.8	Very low	25.3	Very low	140 Å²	140	137 Å²	137	86%	0.859	75%	0.75	S	S	*	*				-163.4	107.9	117.1	25.3	0	0	0	0	109.2
299	A	25.8	Very low	25.4	Very low	83 Å²	83	139.4 Å²	139.4	69%	0.686	75%	0.747	S	S	*	*				81.7	102.7	102.6	0	0	0	0	0	113.8
300	S	27.8	Very low	25.5	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	74%	0.742	S	S	*	*				90.3	139.6	91.3	87.5	0	0	0	0	110.8
301	K	26.7	Very low	25.5	Very low	183 Å²	183	136.9 Å²	136.9	80%	0.796	74%	0.744	S	S	*	*			cis	-168.1	131.6	17.2	-104.4	150.1	-179.7	177.7	0	103.9
302	S	25.4	Very low	25.6	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	75%	0.75	S	S	*	*				65.5	130.9	83.3	83.2	0	0	0	0	116.4
303	K	28	Very low	25.8	Very low	183 Å²	183	133.9 Å²	133.9	80%	0.796	75%	0.751	S	S	*	*				-177.1	122.1	112	-97.6	166.5	176.2	174.5	0	110
304	K	27.4	Very low	26	Very low	171 Å²	171	137 Å²	137	74%	0.743	75%	0.753	S	S	*	*				84.9	132.5	76.4	-142.9	-179.2	-177.9	176.7	0	108.9
305	R	28.1	Very low	26.2	Very low	222 Å²	222	141 Å²	141	84%	0.838	76%	0.761	S	S	*	*			cis	-165.6	144.7	42.6	-166.9	165.8	178.6	-172.3	-1.9	112.1
306	R	26.9	Very low	26.4	Very low	208 Å²	208	142.6 Å²	142.6	79%	0.785	76%	0.762	S	S	*	*			trans	-91.7	174.2	174.9	-150.8	-168.7	-161.4	-125.9	12.7	110.8	D308	R306-D308 IonicContact NH1-OD1 3.94Å; R306-D308 PolarHBondContact NH1-OD1 3.32Å
307	K	26.9	Very low	26.6	Very low	172 Å²	172	139.5 Å²	139.5	75%	0.748	76%	0.758	S	S	*	*				140.1	104.4	123.5	-155.8	171.5	-176.6	-175.7	0	113.3
308	D	25.8	Very low	26.6	Very low	95 Å²	95	139.7 Å²	139.7	51%	0.508	76%	0.759	S	S	.	*				91.7	121.4	102.7	-64.6	0.7	0	0	0	112.1	R306	R306-D308 IonicContact NH1-OD1 3.94Å; R306-D308 PolarHBondContact NH1-OD1 3.32Å
309	E	25.3	Very low	27.2	Very low	175 Å²	175	138.8 Å²	138.8	82%	0.818	76%	0.756	S	S	*	*				81.8	116.9	75.3	-159.4	-178.6	137.1	0	0	114
310	V	26.4	Very low	27.5	Very low	125 Å²	125	142.2 Å²	142.2	76%	0.758	76%	0.762	S	S	*	*			trans	169.9	121.5	132.3	152	0	0	0	0	112.7
311	S	25.4	Very low	28.1	Very low	119 Å²	119	142.3 Å²	142.3	83%	0.832	76%	0.76	S	S	*	*			trans	34.8	137.9	139.2	-44.2	0	0	0	0	125.4
312	G	24.1	Very low	28.2	Very low	75 Å²	75	141.4 Å²	141.4	77%	0.773	76%	0.759	S	S	*	*			trans	162.6	105.4	140	0	0	0	0	0	117.8
313	A	28.3	Very low	28.4	Very low	96 Å²	96	144 Å²	144	79%	0.793	77%	0.765	S	S	*	*			trans	63.9	145.9	145.9	0	0	0	0	0	119.5
314	Q	28.8	Very low	28.4	Very low	179 Å²	179	139.7 Å²	139.7	84%	0.836	76%	0.764	S	S	*	*			cis	-173.6	160.9	10.1	-124.1	173.2	-11.4	0	0	110.5
315	M	26.2	Very low	28.5	Very low	161 Å²	161	137.7 Å²	137.7	79%	0.793	77%	0.765	S	S	*	*			trans	89.7	98.9	146.4	-145.6	82.3	169.5	0	0	121.4
316	N	27.3	Very low	28.5	Very low	142 Å²	142	132.3 Å²	132.3	76%	0.759	76%	0.762	S	S	*	*				25.4	146.7	116.6	-70.5	3.4	0	0	0	119.7
317	S	28.2	Very low	28.5	Very low	101 Å²	101	127.1 Å²	127.1	71%	0.706	76%	0.757	S	S	*	*			cis	176	140.7	3.7	44.4	0	0	0	0	109.5
318	S	24.1	Very low	28.5	Very low	107 Å²	107	126 Å²	126	75%	0.748	76%	0.759	S	S	*	*			trans	37.5	169	134.8	-109.2	0	0	0	0	122.8
319	P	38.4	Very low	28.7	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	77%	0.767	S	S	*	*			cis	-142.3	171.2	20	31.1	-5.2	0	0	0	119.7
320	L	31.6	Very low	28.9	Very low	154 Å²	154	128.8 Å²	128.8	81%	0.806	77%	0.765	S	S	*	*			trans	-59.2	-174.6	164.1	-93.1	109.2	0	0	0	114.5
321	P	41.2	Very low	29	Very low	100 Å²	100	131.3 Å²	131.3	65%	0.649	77%	0.765	S	S	*	*			cis	-150.6	-174	19.4	45.9	-24.8	0	0	0	119.7
322	Q	29	Very low	29.1	Very low	165 Å²	165	131.6 Å²	131.6	77%	0.771	77%	0.767	S	S	*	*			trans	99.8	106.6	143.3	-82.4	172.3	0.8	0	0	123.8
323	D	28.1	Very low	29.2	Very low	152 Å²	152	131 Å²	131	81%	0.813	76%	0.761	S	S	*	*				66.1	151.7	116.1	-69.9	-30.1	0	0	0	127.5
324	A	28.3	Very low	29.5	Very low	93 Å²	93	134 Å²	134	77%	0.769	76%	0.763	S	S	*	*			trans	94.9	114.9	167	0	0	0	0	0	116.9
325	V	29.1	Very low	29.7	Very low	128 Å²	128	134.5 Å²	134.5	78%	0.776	76%	0.762	S	S	*	*			cis	86.5	113.7	33.2	-176.7	0	0	0	0	116
326	S	29.2	Very low	30.2	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	76%	0.764	S	S	*	*			trans	72.9	150.5	148.8	-69.7	0	0	0	0	119.5
327	S	26.3	Very low	30.8	Very low	99 Å²	99	135 Å²	135	69%	0.692	77%	0.766	S	S	*	*			cis	-176.3	141	12.4	39.4	0	0	0	0	112
328	N	27.4	Very low	31	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	77%	0.766	S	S	*	*				48.9	137.2	128.7	-72.9	-40.4	0	0	0	126.4
329	L	29	Very low	31.7	Very low	129 Å²	129	137.6 Å²	137.6	68%	0.675	77%	0.772	S	S	*	*			trans	104.2	113.5	135.5	-67	145.3	0	0	0	123.1
330	R	29.7	Very low	31.6	Very low	201 Å²	201	135.7 Å²	135.7	76%	0.758	77%	0.767	S	S	*	*				79.8	124.7	121.9	-74.4	-178.3	-171.5	174	9.4	124.8
331	K	29.1	Very low	31.9	Very low	178 Å²	178	134 Å²	134	77%	0.774	77%	0.768	S	S	*	*				92.7	137.7	120.5	-88	-174.4	179.2	-176.8	0	123.8
332	S	27.9	Very low	31.9	Very low	124 Å²	124	134.8 Å²	134.8	87%	0.867	78%	0.776	S	S	*	*			trans	79	144.7	148.9	77	0	0	0	0	117.4
333	G	27.1	Very low	32.5	Very low	63 Å²	63	134 Å²	134	65%	0.649	78%	0.777	S	S	*	*			cis	135.8	145.2	9.2	0	0	0	0	0	110
334	L	33.8	Very low	33.4	Very low	158 Å²	158	137.4 Å²	137.4	83%	0.827	78%	0.784	S	S	*	*			trans	83.3	152.3	173.9	-78.4	79.9	0	0	0	118.5
335	K	32.3	Very low	34.1	Very low	191 Å²	191	143.6 Å²	143.6	83%	0.83	79%	0.787	S	S	*	*			cis	-175	158.8	-24.2	-104.3	177.8	-169.2	179.1	0	106
336	K	36.6	Very low	35	Very low	189 Å²	189	146.9 Å²	146.9	82%	0.822	79%	0.794	S	S	*	*			trans	-63.3	175.1	-173.2	-58.7	168.9	169.6	176.5	0	116.6
337	P	40.8	Very low	35.5	Very low	123 Å²	123	146.7 Å²	146.7	80%	0.799	80%	0.799	S	S	*	*				-141.4	140.8	84.5	33.5	-15.3	0	0	0	114.1
338	V	32.9	Very low	36.7	Very low	116 Å²	116	148.4 Å²	148.4	70%	0.703	81%	0.81	S	S	*	*				49.2	109.5	86.3	-171.9	0	0	0	0	117.1
339	V	38.4	Very low	37.8	Very low	147 Å²	147	144.2 Å²	144.2	89%	0.891	80%	0.802	S	S	*	*			trans	-138.8	128.7	141.6	178.2	0	0	0	0	108.3
340	A	36.9	Very low	39.3	Very low	83 Å²	83	147 Å²	147	69%	0.686	81%	0.811	S	S	*	*			trans	-86.3	141.8	178.1	0	0	0	0	0	111.3
341	S	36.5	Very low	40.9	Very low	119 Å²	119	145.7 Å²	145.7	83%	0.832	82%	0.818	S	S	*	*			trans	-138	117.5	148.7	59.6	0	0	0	0	109.1
342	S	42	Very low	43	Very low	115 Å²	115	144.3 Å²	144.3	80%	0.804	82%	0.819	S	S	*	*			trans	-81.7	113.5	179.6	-57.6	0	0	0	0	109.4
343	L	41.2	Very low	45.6	Very low	150 Å²	150	142.2 Å²	142.2	79%	0.785	80%	0.798	S	S	*	*			trans	-132.2	106.1	156.6	-74.7	173	0	0	0	108	R345	L343-R345 PolarHBondContact O-N 3.35Å
344	K	47.7	Very low	48.2	Very low	223 Å²	223	147.4 Å²	147.4	97%	0.97	81%	0.805	S	S	*	*			trans	-54.1	107.1	166.1	-96.4	174.6	170.9	175.3	0	108.2
345	R	42.8	Very low	50.5	Low	222 Å²	222	143.8 Å²	143.8	84%	0.838	80%	0.798	S	S	*	*			trans	-122.2	115.6	158.9	-133.7	-178.8	-80.5	-177.7	-4.1	105.9	L343 A347	L343-R345 PolarHBondContact O-N 3.35Å; R345-A347 PolarHBondContact O-N 2.81Å
346	Q	46.6	Very low	52.7	Low	198 Å²	198	141.4 Å²	141.4	93%	0.925	79%	0.79	S	S	*	*			trans	-51.2	115.1	172.2	-85.8	164	-45.1	0	0	108.4	C348	Q346-C348 PolarHBondContact O-N 3.19Å
347	A	40.5	Very low	55.1	Low	105 Å²	105	137.8 Å²	137.8	87%	0.868	78%	0.783	S	S	*	*			trans	-75.4	92.9	174.9	0	0	0	0	0	108.5	R345	R345-A347 PolarHBondContact O-N 2.81Å
348	C	51.3	Low	57.3	Low	134 Å²	134	135 Å²	135	91%	0.905	76%	0.764	S	S	*	*			trans	-81.6	124.5	157	-178.1	0	0	0	0	107.6	Q346	Q346-C348 PolarHBondContact O-N 3.19Å
349	G	51.5	Low	60.2	Low	61 Å²	61	134.7 Å²	134.7	63%	0.629	76%	0.758	S	S	*	*			trans	123.4	82.4	169.2	0	0	0	0	0	113.9	L351	G349-L351 PolarHBondContact O-N 2.92Å
350	Q	60.7	Low	62.9	Low	187 Å²	187	129 Å²	129	87%	0.874	72%	0.724	S	S	*	*			trans	-61	115.7	147.6	-76.1	177.3	-29.1	0	0	106	L352	Q350-L352 PolarHBondContact O-N 3.38Å
351	L	61.6	Low	65.7	Low	173 Å²	173	126.6 Å²	126.6	91%	0.906	70%	0.699	S	S	*	*			trans	-60.2	114.5	171.7	-75.9	173.4	0	0	0	107.3	G349 D353	G349-L351 PolarHBondContact O-N 2.92Å; L351-D353 PolarHBondContact O-N 3.45Å
352	L	74.7	Confident	68.5	Low	150 Å²	150	124.3 Å²	124.3	79%	0.785	68%	0.675	S	S	*	*			trans	-66.6	124.1	174.5	-69.8	171	0	0	0	107.8	Q350 E354	Q350-L352 PolarHBondContact O-N 3.38Å; L352-E354 PolarHBondContact O-N 3.13Å
353	D	81.4	Confident	71.1	Confident	79 Å²	79	120.9 Å²	120.9	42%	0.422	65%	0.647	S	S	.	*			trans	-69.7	108	170.9	177.8	7.5	0	0	0	108.6	L351 A355 Q356	L351-D353 PolarHBondContact O-N 3.45Å; D353-A355 PolarHBondContact O-N 3.24Å; D353-A355 VanDerWaalsContact O-N 3.12Å; D353-A355 VanDerWaalsContact OD1-CB 3.31Å; D353-A355 WeakPolarHBondContact OD1-CB 3.42Å; D353-A355 PolarHBondContact OD1-N 2.88Å; D353-A355 VanDerWaalsContact OD1-N 3.12Å; D353-Q356 HydrophobicContact CB-CG 3.91Å; D353-Q356 WeakPolarHBondContact O-CB 3.45Å; D353-Q356 PolarHBondContact O-N 3.33Å; D353-Q356 WeakPolarHBondContact OD2-CG 3.41Å; D353-Q356 PolarHBondContact OD2-NE2 3.35Å
354	E	83	Confident	73.8	Confident	173 Å²	173	114.5 Å²	114.5	81%	0.808	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-55.2	-29.7	-179.7	-66	-179.2	-173.7	0	0	112.1	L352 Q356 V357	L352-E354 PolarHBondContact O-N 3.13Å; E354-Q356 PolarHBondContact O-N 3.49Å; E354-V357 PolarHBondContact O-N 3.11Å; E354-V357 VanDerWaalsContact O-N 3.13Å
355	A	80.6	Confident	76.2	Confident	81 Å²	81	103.9 Å²	103.9	67%	0.669	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-66.6	-18.9	177.7	0	0	0	0	0	113.1	D353	D353-A355 PolarHBondContact O-N 3.24Å; D353-A355 VanDerWaalsContact O-N 3.12Å; D353-A355 VanDerWaalsContact OD1-CB 3.31Å; D353-A355 WeakPolarHBondContact OD1-CB 3.42Å; D353-A355 PolarHBondContact OD1-N 2.88Å; D353-A355 VanDerWaalsContact OD1-N 3.12Å
356	Q	78.2	Confident	78.8	Confident	141 Å²	141	93.8 Å²	93.8	66%	0.659	53%	0.53	S	S	*	.	G	3₁₀ helix	trans	-86.5	-17.7	177.6	-60.6	177.4	22.5	0	0	112.3	D353 E354 T358	D353-Q356 HydrophobicContact CB-CG 3.91Å; D353-Q356 WeakPolarHBondContact O-CB 3.45Å; D353-Q356 PolarHBondContact O-N 3.33Å; D353-Q356 WeakPolarHBondContact OD2-CG 3.41Å; D353-Q356 PolarHBondContact OD2-NE2 3.35Å; E354-Q356 PolarHBondContact O-N 3.49Å; Q356-T358 PolarHBondContact O-N 3.17Å; Q356-T358 PolarHBondContact O-OG1 2.73Å
357	V	87.3	Confident	81.2	Confident	113 Å²	113	86.7 Å²	86.7	69%	0.685	50%	0.503	S	S	*	.			trans	-77.2	104.7	178	-175.1	0	0	0	0	109.4	E354	E354-V357 PolarHBondContact O-N 3.11Å; E354-V357 VanDerWaalsContact O-N 3.13Å
358	T	88.1	Confident	83.9	Confident	65 Å²	65	81.7 Å²	81.7	40%	0.399	46%	0.462	S	S	.	.			trans	-135.9	141.8	-176.9	43.4	0	0	0	0	109.8	K233 Q356	K233-T358 WeakPolarHBondContact CD-OG1 3.39Å; K233-T358 WeakPolarHBondContact CE-OG1 3.32Å; K233-T358 PolarHBondContact NZ-O 2.97Å; K233-T358 PolarHBondContact NZ-OG1 2.68Å; Q356-T358 PolarHBondContact O-N 3.17Å; Q356-T358 PolarHBondContact O-OG1 2.73Å
359	L	92.8	Very high	86.1	Confident	110 Å²	110	75.3 Å²	75.3	58%	0.576	42%	0.419	S	S	*	.			trans	-108.7	121.4	172.9	-176	65.5	0	0	0	108.2	D363 W364 F395	L359-D363 HydrophobicContact CD1-CB 3.91Å; L359-W364 HydrophobicContact CD2-CB 3.98Å; L359-W364 HydrophobicContact CG-CB 4.1Å; L359-F395 WeakPolarHBondContact O-CZ 3.42Å
360	S	95.4	Very high	88.3	Confident	26 Å²	26	76.7 Å²	76.7	18%	0.182	41%	0.408	C	S	.	.			trans	-81.7	159.5	176.4	94	0	0	0	0	110.9	Q362 D363 W364	S360-Q362 PolarHBondContact O-N 2.96Å; S360-Q362 PolarHBondContact OG-N 2.93Å; S360-D363 WeakPolarHBondContact CB-OD2 3.4Å; S360-D363 PolarHBondContact N-OD2 3.33Å; S360-D363 PolarHBondContact O-N 3.13Å; S360-D363 PolarHBondContact OG-N 3.4Å; S360-D363 VanDerWaalsContact OG-N 3.13Å; S360-D363 PolarHBondContact OG-OD1 3.35Å; S360-D363 PolarHBondContact OG-OD2 3.34Å; S360-D363 VanDerWaalsContact OG-OD2 3.04Å; S360-W364 WeakPolarHBondContact O-CB 3.25Å; S360-W364 PolarHBondContact O-N 3.15Å
361	F	96.3	Very high	90.1	Very high	34 Å²	34	73.9 Å²	73.9	15%	0.149	39%	0.39	C	S	.	.	H	α-helix	trans	-59.1	-35.1	172.9	169.8	-100.2	0	0	0	112.2	W364 L365 F395 A398 L399	F361-W364 AromaticContact CD2-CE3 3.79Å; F361-W364 HydrophobicContact CD2-CE3 3.79Å; F361-W364 AromaticContact CD2-CZ3 3.93Å; F361-W364 HydrophobicContact CD2-CZ3 3.93Å; F361-W364 AromaticContact CE2-CE3 3.88Å; F361-W364 HydrophobicContact CE2-CE3 3.88Å; F361-W364 AromaticContact CE2-CZ3 3.55Å; F361-W364 HydrophobicContact CE2-CZ3 3.55Å; F361-W364 HydrophobicContact CZ-CZ3 4.45Å; F361-L365 HydrophobicContact CE1-CD2 4.06Å; F361-L365 HydrophobicContact CZ-CD2 4Å; F361-L365 VanDerWaalsContact O-CB 3.25Å; F361-L365 WeakPolarHBondContact O-CB 3.5Å; F361-L365 PolarHBondContact O-N 3.4Å; F361-F395 HydrophobicContact CB-CD1 4.49Å; F361-F395 HydrophobicContact CB-CE1 4.47Å; F361-F395 HydrophobicContact CD2-CB 4.04Å; F361-F395 HydrophobicContact CD2-CD2 4.28Å; F361-F395 HydrophobicContact CD2-CG 4.08Å; F361-F395 WeakPolarHBondContact CE2-O 3.42Å; F361-A398 HydrophobicContact CD1-CB 4.02Å; F361-A398 HydrophobicContact CD2-CB 3.75Å; F361-A398 HydrophobicContact CE1-CB 3.97Å; F361-A398 HydrophobicContact CE2-CB 3.67Å; F361-A398 HydrophobicContact CG-CB 3.92Å; F361-A398 HydrophobicContact CZ-CB 3.79Å; F361-L399 HydrophobicContact CE2-CB 4.14Å; F361-L399 HydrophobicContact CZ-CB 4.27Å
362	Q	95.6	Very high	91.8	Very high	70 Å²	70	65.6 Å²	65.6	33%	0.327	35%	0.347	S	S	.	.	H	α-helix	trans	-69.6	-46.8	179.3	-67	-72.8	-15.6	0	0	111	S360 W364 L365 A366	S360-Q362 PolarHBondContact O-N 2.96Å; S360-Q362 PolarHBondContact OG-N 2.93Å; Q362-W364 VanDerWaalsContact C-N 3.31Å; Q362-W364 PolarHBondContact O-N 3.48Å; Q362-L365 PolarHBondContact O-N 2.66Å; Q362-A366 WeakPolarHBondContact O-CB 3.3Å; Q362-A366 PolarHBondContact O-N 2.82Å
363	D	95.7	Very high	92.8	Very high	43 Å²	43	58.8 Å²	58.8	23%	0.23	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-41.5	-179.7	-44.3	-12	0	0	0	109.8	L359 S360 A366 S367	L359-D363 HydrophobicContact CD1-CB 3.91Å; S360-D363 WeakPolarHBondContact CB-OD2 3.4Å; S360-D363 PolarHBondContact N-OD2 3.33Å; S360-D363 PolarHBondContact O-N 3.13Å; S360-D363 PolarHBondContact OG-N 3.4Å; S360-D363 VanDerWaalsContact OG-N 3.13Å; S360-D363 PolarHBondContact OG-OD1 3.35Å; S360-D363 PolarHBondContact OG-OD2 3.34Å; S360-D363 VanDerWaalsContact OG-OD2 3.04Å; D363-A366 WeakPolarHBondContact O-CB 3.38Å; D363-A366 PolarHBondContact O-N 2.91Å; D363-S367 PolarHBondContact O-N 3.4Å
364	W	97.3	Very high	93.4	Very high	16 Å²	16	59.9 Å²	59.9	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-48.7	172.6	168.4	76.5	0	0	0	111.9	L359 S360 F361 Q362 A366 S367 V368 I391 F395 L399 L535	L359-W364 HydrophobicContact CD2-CB 3.98Å; L359-W364 HydrophobicContact CG-CB 4.1Å; S360-W364 WeakPolarHBondContact O-CB 3.25Å; S360-W364 PolarHBondContact O-N 3.15Å; F361-W364 AromaticContact CD2-CE3 3.79Å; F361-W364 HydrophobicContact CD2-CE3 3.79Å; F361-W364 AromaticContact CD2-CZ3 3.93Å; F361-W364 HydrophobicContact CD2-CZ3 3.93Å; F361-W364 AromaticContact CE2-CE3 3.88Å; F361-W364 HydrophobicContact CE2-CE3 3.88Å; F361-W364 AromaticContact CE2-CZ3 3.55Å; F361-W364 HydrophobicContact CE2-CZ3 3.55Å; F361-W364 HydrophobicContact CZ-CZ3 4.45Å; Q362-W364 VanDerWaalsContact C-N 3.31Å; Q362-W364 PolarHBondContact O-N 3.48Å; W364-A366 PolarHBondContact O-N 3.48Å; W364-S367 WeakPolarHBondContact O-CA 3.47Å; W364-S367 WeakPolarHBondContact O-CB 3.47Å; W364-S367 PolarHBondContact O-N 2.95Å; W364-S367 PolarHBondContact O-OG 2.98Å; W364-V368 HydrophobicContact CD2-CG2 4.18Å; W364-V368 HydrophobicContact CH2-CG2 4.09Å; W364-V368 HydrophobicContact CZ2-CG2 3.52Å; W364-V368 PolarHBondContact O-N 3.36Å; W364-I391 HydrophobicContact CH2-CD1 3.72Å; W364-I391 HydrophobicContact CZ2-CB 4.42Å; W364-I391 HydrophobicContact CZ2-CD1 3.74Å; W364-I391 HydrophobicContact CZ2-CG2 3.54Å; W364-F395 HydrophobicContact CB-CD2 3.97Å; W364-F395 HydrophobicContact CB-CE2 3.51Å; W364-F395 AromaticContact CD2-CD2 3.61Å; W364-F395 HydrophobicContact CD2-CD2 3.61Å; W364-F395 HydrophobicContact CD2-CE2 4.11Å; W364-F395 AromaticContact CE3-CD2 3.71Å; W364-F395 HydrophobicContact CE3-CD2 3.71Å; W364-F395 HydrophobicContact CE3-CE2 4.41Å; W364-F395 AromaticContact CG-CD2 3.7Å; W364-F395 HydrophobicContact CG-CD2 3.7Å; W364-F395 AromaticContact CG-CE2 3.69Å; W364-F395 HydrophobicContact CG-CE2 3.69Å; W364-L399 HydrophobicContact CH2-CD2 4.5Å; W364-L535 HydrophobicContact CH2-CD2 3.72Å; W364-L535 HydrophobicContact CZ2-CD2 3.88Å
365	L	98.1	Very high	94	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-30.1	179.4	-173.6	63.9	0	0	0	112.1	F361 Q362 V368 T369 L399 L447 T449	F361-L365 HydrophobicContact CE1-CD2 4.06Å; F361-L365 HydrophobicContact CZ-CD2 4Å; F361-L365 VanDerWaalsContact O-CB 3.25Å; F361-L365 WeakPolarHBondContact O-CB 3.5Å; F361-L365 PolarHBondContact O-N 3.4Å; Q362-L365 PolarHBondContact O-N 2.66Å; L365-V368 HydrophobicContact CD1-CB 4.41Å; L365-V368 PolarHBondContact O-N 3.33Å; L365-T369 PolarHBondContact O-N 3.13Å; L365-T369 PolarHBondContact O-OG1 3.09Å; L365-L399 HydrophobicContact CD1-CD1 4.19Å; L365-L447 HydrophobicContact CD1-CD2 3.95Å; L365-T449 HydrophobicContact CB-CG2 3.9Å; L365-T449 HydrophobicContact CD2-CG2 3.9Å; L365-T449 HydrophobicContact CG-CG2 3.81Å
366	A	97.4	Very high	94.7	Very high	9 Å²	9	48.8 Å²	48.8	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-62.9	-44.5	171.5	0	0	0	0	0	110.5	Q362 D363 W364 V368 T369 E370 T449 M452	Q362-A366 WeakPolarHBondContact O-CB 3.3Å; Q362-A366 PolarHBondContact O-N 2.82Å; D363-A366 WeakPolarHBondContact O-CB 3.38Å; D363-A366 PolarHBondContact O-N 2.91Å; W364-A366 PolarHBondContact O-N 3.48Å; A366-V368 VanDerWaalsContact C-N 3.33Å; A366-V368 PolarHBondContact O-N 2.91Å; A366-T369 WeakPolarHBondContact O-CB 3.43Å; A366-T369 PolarHBondContact O-N 2.85Å; A366-T369 VanDerWaalsContact O-N 3.17Å; A366-E370 WeakPolarHBondContact O-CB 3.48Å; A366-E370 PolarHBondContact O-N 3.46Å; A366-T449 HydrophobicContact CB-CG2 4.3Å; A366-M452 HydrophobicContact CB-CB 3.8Å
367	S	97.4	Very high	95.5	Very high	50 Å²	50	44.1 Å²	44.1	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-35.4	174	80.5	0	0	0	0	113.2	D363 W364 E370 R371	D363-S367 PolarHBondContact O-N 3.4Å; W364-S367 WeakPolarHBondContact O-CA 3.47Å; W364-S367 WeakPolarHBondContact O-CB 3.47Å; W364-S367 PolarHBondContact O-N 2.95Å; W364-S367 PolarHBondContact O-OG 2.98Å; S367-E370 PolarHBondContact O-N 2.98Å; S367-R371 WeakPolarHBondContact O-CB 3.44Å; S367-R371 PolarHBondContact O-N 2.95Å
368	V	98	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-43.6	173.6	173.5	0	0	0	0	110.4	W364 L365 A366 R371 I372 F389 I537	W364-V368 HydrophobicContact CD2-CG2 4.18Å; W364-V368 HydrophobicContact CH2-CG2 4.09Å; W364-V368 HydrophobicContact CZ2-CG2 3.52Å; W364-V368 PolarHBondContact O-N 3.36Å; L365-V368 HydrophobicContact CD1-CB 4.41Å; L365-V368 PolarHBondContact O-N 3.33Å; A366-V368 VanDerWaalsContact C-N 3.33Å; A366-V368 PolarHBondContact O-N 2.91Å; V368-R371 WeakPolarHBondContact O-CB 3.14Å; V368-R371 PolarHBondContact O-N 3.42Å; V368-I372 HydrophobicContact CG1-CD1 4.34Å; V368-I372 WeakPolarHBondContact O-CG1 3.38Å; V368-I372 PolarHBondContact O-N 3.28Å; V368-F389 HydrophobicContact CB-CZ 4.26Å; V368-F389 HydrophobicContact CG1-CE2 4.05Å; V368-F389 HydrophobicContact CG1-CZ 4.01Å; V368-F389 HydrophobicContact CG2-CD1 4.21Å; V368-F389 HydrophobicContact CG2-CE1 3.91Å; V368-F389 HydrophobicContact CG2-CE2 4.25Å; V368-F389 HydrophobicContact CG2-CZ 3.93Å; V368-I537 HydrophobicContact CG1-CD1 3.54Å
369	T	97.8	Very high	95.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-43.5	178.2	-57.8	0	0	0	0	111.3	L365 A366 R371 I372 H373 L447 M452 L454	L365-T369 PolarHBondContact O-N 3.13Å; L365-T369 PolarHBondContact O-OG1 3.09Å; A366-T369 WeakPolarHBondContact O-CB 3.43Å; A366-T369 PolarHBondContact O-N 2.85Å; A366-T369 VanDerWaalsContact O-N 3.17Å; T369-R371 VanDerWaalsContact C-N 3.3Å; T369-R371 PolarHBondContact O-N 3.28Å; T369-I372 WeakPolarHBondContact O-CB 3.38Å; T369-I372 PolarHBondContact O-N 2.79Å; T369-H373 PolarHBondContact O-N 3.35Å; T369-L447 PolarHBondContact OG1-O 3.45Å; T369-M452 HydrophobicContact CG2-CG 3.93Å; T369-L454 HydrophobicContact CG2-CB 4.19Å; T369-L454 HydrophobicContact CG2-CD1 3.87Å
370	E	96.9	Very high	95.9	Very high	89 Å²	89	41.4 Å²	41.4	42%	0.416	20%	0.197	S	C	.	.	H	α-helix	trans	-60.3	-39.6	173.4	-175.7	175.3	-133.5	0	0	111.7	A366 S367 I372 H373 Q374 M452	A366-E370 WeakPolarHBondContact O-CB 3.48Å; A366-E370 PolarHBondContact O-N 3.46Å; S367-E370 PolarHBondContact O-N 2.98Å; E370-I372 PolarHBondContact O-N 3.24Å; E370-H373 VanDerWaalsContact O-CB 3.3Å; E370-H373 WeakPolarHBondContact O-CB 3.19Å; E370-H373 PolarHBondContact O-N 2.82Å; E370-Q374 WeakPolarHBondContact O-CG 3.46Å; E370-Q374 PolarHBondContact O-N 2.81Å; E370-M452 HydrophobicContact CB-CE 4.24Å; E370-M452 HydrophobicContact CB-CG 4.22Å; E370-M452 HydrophobicContact CG-CE 4.34Å
371	R	97.5	Very high	95.7	Very high	128 Å²	128	44 Å²	44	48%	0.483	21%	0.209	S	C	.	.	H	α-helix	trans	-64.5	-40.9	175.7	-173.6	62.6	179	-171.1	-1	112.2	S367 V368 T369 H373 Q374 T375 L387 F389	S367-R371 WeakPolarHBondContact O-CB 3.44Å; S367-R371 PolarHBondContact O-N 2.95Å; V368-R371 WeakPolarHBondContact O-CB 3.14Å; V368-R371 PolarHBondContact O-N 3.42Å; T369-R371 VanDerWaalsContact C-N 3.3Å; T369-R371 PolarHBondContact O-N 3.28Å; R371-H373 VanDerWaalsContact C-N 3.3Å; R371-H373 PolarHBondContact O-N 2.93Å; R371-Q374 PolarHBondContact O-N 3.01Å; R371-T375 WeakPolarHBondContact O-CB 3.2Å; R371-T375 PolarHBondContact O-N 2.98Å; R371-T375 PolarHBondContact O-OG1 3.13Å; R371-L387 HydrophobicContact CB-CD1 4.47Å; R371-L387 HydrophobicContact CG-CD1 3.92Å; R371-L387 HydrophobicContact CG-CD2 4.08Å; R371-F389 HydrophobicContact CB-CZ 4.38Å; R371-F389 HydrophobicContact CG-CZ 4.31Å
372	I	97.5	Very high	95.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-45.1	173.5	-69.6	167.3	0	0	0	109.9	V368 T369 E370 Q374 T375 M376 L387 L447 L454 F518 F539	V368-I372 HydrophobicContact CG1-CD1 4.34Å; V368-I372 WeakPolarHBondContact O-CG1 3.38Å; V368-I372 PolarHBondContact O-N 3.28Å; T369-I372 WeakPolarHBondContact O-CB 3.38Å; T369-I372 PolarHBondContact O-N 2.79Å; E370-I372 PolarHBondContact O-N 3.24Å; I372-Q374 PolarHBondContact O-N 3.38Å; I372-T375 WeakPolarHBondContact O-CB 3.12Å; I372-T375 PolarHBondContact O-N 2.87Å; I372-T375 VanDerWaalsContact O-N 3.13Å; I372-M376 HydrophobicContact CG2-CG 4.4Å; I372-M376 HydrophobicContact CG2-SD 4.03Å; I372-M376 WeakPolarHBondContact O-CG 3.11Å; I372-M376 PolarHBondContact O-N 2.98Å; I372-L387 HydrophobicContact CG1-CD1 3.76Å; I372-L447 HydrophobicContact CD1-CD1 3.59Å; I372-L454 HydrophobicContact CG2-CD1 4.27Å; I372-F518 HydrophobicContact CD1-CZ 4.21Å; I372-F539 HydrophobicContact CB-CZ 4.37Å; I372-F539 HydrophobicContact CG1-CE1 4.06Å; I372-F539 HydrophobicContact CG1-CZ 4.34Å; I372-F539 HydrophobicContact CG2-CE1 4.36Å; I372-F539 HydrophobicContact CG2-CE2 4.18Å; I372-F539 HydrophobicContact CG2-CZ 3.93Å
373	H	95.9	Very high	95.5	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.028	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-43.8	176.9	-77.2	171.3	0	0	0	114.3	T369 E370 R371 T375 M376 P453 E455 R458	T369-H373 PolarHBondContact O-N 3.35Å; E370-H373 VanDerWaalsContact O-CB 3.3Å; E370-H373 WeakPolarHBondContact O-CB 3.19Å; E370-H373 PolarHBondContact O-N 2.82Å; R371-H373 VanDerWaalsContact C-N 3.3Å; R371-H373 PolarHBondContact O-N 2.93Å; H373-T375 PolarHBondContact O-N 3.43Å; H373-M376 PolarHBondContact O-N 3.47Å; H373-P453 PolarHBondContact CE1-O 2.97Å; H373-P453 VanDerWaalsContact CE1-O 3.27Å; H373-E455 WeakPolarHBondContact NE2-CB 3.42Å; H373-E455 PolarHBondContact NE2-N 3.26Å; H373-R458 VanDerWaalsContact CB-NH1 3.26Å; H373-R458 PolarHBondContact ND1-NH1 3.27Å; H373-R458 PolarHBondContact O-NE 3.06Å
374	Q	95	Very high	95.5	Very high	102 Å²	102	45 Å²	45	48%	0.477	21%	0.214	S	C	.	.	H	α-helix	trans	-61.9	-35.9	174.7	-71.8	172.7	2	0	0	111.4	E370 R371 I372	E370-Q374 WeakPolarHBondContact O-CG 3.46Å; E370-Q374 PolarHBondContact O-N 2.81Å; R371-Q374 PolarHBondContact O-N 3.01Å; I372-Q374 PolarHBondContact O-N 3.38Å
375	T	95.7	Very high	95.4	Very high	22 Å²	22	52 Å²	52	14%	0.135	25%	0.248	C	C	.	.	H	α-helix	trans	-75.3	-29.3	-178.2	-53.6	0	0	0	0	112.3	R371 I372 H373 H377 P384 F539 Y541	R371-T375 WeakPolarHBondContact O-CB 3.2Å; R371-T375 PolarHBondContact O-N 2.98Å; R371-T375 PolarHBondContact O-OG1 3.13Å; I372-T375 WeakPolarHBondContact O-CB 3.12Å; I372-T375 PolarHBondContact O-N 2.87Å; I372-T375 VanDerWaalsContact O-N 3.13Å; H373-T375 PolarHBondContact O-N 3.43Å; T375-H377 PolarHBondContact O-N 3.22Å; T375-P384 HydrophobicContact CG2-CB 3.12Å; T375-P384 HydrophobicContact CG2-CG 3.54Å; T375-F539 HydrophobicContact CG2-CE2 4.49Å; T375-F539 HydrophobicContact CG2-CZ 3.79Å; T375-Y541 VanDerWaalsContact O-CE1 3.24Å; T375-Y541 WeakPolarHBondContact O-CE1 3.21Å; T375-Y541 VanDerWaalsContact O-CZ 3.3Å; T375-Y541 PolarHBondContact O-OH 3.07Å
376	M	94.8	Very high	95.3	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-77.8	49.1	176.3	-71.2	179.3	64.5	0	0	113.2	I372 H373 F460 T501 L503 F539 Y541	I372-M376 HydrophobicContact CG2-CG 4.4Å; I372-M376 HydrophobicContact CG2-SD 4.03Å; I372-M376 WeakPolarHBondContact O-CG 3.11Å; I372-M376 PolarHBondContact O-N 2.98Å; H373-M376 PolarHBondContact O-N 3.47Å; M376-F460 WeakPolarHBondContact O-CZ 3.43Å; M376-T501 PolarHBondContact O-OG1 2.82Å; M376-L503 HydrophobicContact CE-CB 4.49Å; M376-L503 HydrophobicContact CE-CD2 4.17Å; M376-L503 HydrophobicContact CE-CG 3.76Å; M376-L503 HydrophobicContact CG-CD2 4.3Å; M376-L503 HydrophobicContact SD-CD1 4.26Å; M376-L503 HydrophobicContact SD-CD2 3.58Å; M376-L503 VanDerWaalsContact SD-CD2 3.58Å; M376-L503 HydrophobicContact SD-CG 3.57Å; M376-L503 VanDerWaalsContact SD-CG 3.57Å; M376-F539 HydrophobicContact CG-CE2 3.92Å; M376-Y541 HydrophobicContact CG-CD1 4.09Å; M376-Y541 HydrophobicContact CG-CG 4.24Å
377	H	94.8	Very high	95.3	Very high	43 Å²	43	54.2 Å²	54.2	20%	0.199	26%	0.26	C	S	.	.			trans	-92.7	137.6	-176.3	-170	-88.5	0	0	0	111.8	T375 Q379 F380 F460 Y468 Y541	T375-H377 PolarHBondContact O-N 3.22Å; H377-Q379 VanDerWaalsContact ND1-CB 3.29Å; H377-Q379 WeakPolarHBondContact ND1-CB 3.29Å; H377-Q379 PolarHBondContact ND1-N 2.65Å; H377-Q379 PolarHBondContact O-N 2.83Å; H377-Q379 VanDerWaalsContact O-N 3.09Å; H377-F380 HydrophobicContact CB-CD2 3.78Å; H377-F380 HydrophobicContact CB-CE2 3.85Å; H377-F380 PolarHBondContact O-N 3.42Å; H377-F460 AromaticContact CD2-CE1 3.65Å; H377-Y468 PolarHBondContact NE2-O 3.45Å; H377-Y541 PolarHBondContact N-OH 3.01Å; H377-Y541 PolarHBondContact O-OH 2.93Å
378	Y	92.4	Very high	95.3	Very high	21 Å²	21	55 Å²	55	8%	0.082	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22	-172	-164	-86.5	0	0	0	114.4	F380 F460 Y468 L499 T501 H543	Y378-F380 VanDerWaalsContact C-N 3.31Å; Y378-F380 PolarHBondContact O-N 2.99Å; Y378-F460 HydrophobicContact CD2-CD2 4.32Å; Y378-F460 HydrophobicContact CG-CB 4.49Å; Y378-F460 HydrophobicContact CG-CD2 4.44Å; Y378-Y468 AromaticContact CD1-CD1 3.59Å; Y378-Y468 HydrophobicContact CD1-CD1 3.59Å; Y378-Y468 AromaticContact CD1-CE1 3.36Å; Y378-Y468 HydrophobicContact CD1-CE1 3.36Å; Y378-Y468 HydrophobicContact CD1-CE2 4.5Å; Y378-Y468 HydrophobicContact CD1-CG 4.25Å; Y378-Y468 AromaticContact CD1-CZ 3.86Å; Y378-Y468 HydrophobicContact CE1-CD1 4.38Å; Y378-Y468 AromaticContact CE1-CE1 3.78Å; Y378-Y468 HydrophobicContact CE1-CE1 3.78Å; Y378-Y468 HydrophobicContact CG-CD1 4.22Å; Y378-Y468 HydrophobicContact CG-CE1 4.4Å; Y378-L499 HydrophobicContact CD1-CB 4.36Å; Y378-L499 HydrophobicContact CD1-CD1 4.4Å; Y378-L499 HydrophobicContact CD2-CB 3.83Å; Y378-L499 HydrophobicContact CE1-CB 4.16Å; Y378-L499 HydrophobicContact CE1-CD1 4.19Å; Y378-L499 HydrophobicContact CE1-CD2 3.96Å; Y378-L499 HydrophobicContact CE1-CG 4.34Å; Y378-L499 HydrophobicContact CE2-CB 3.6Å; Y378-L499 HydrophobicContact CE2-CD2 4.27Å; Y378-L499 HydrophobicContact CE2-CG 4.47Å; Y378-L499 HydrophobicContact CG-CB 4.22Å; Y378-L499 WeakPolarHBondContact OH-CD2 3.46Å; Y378-T501 HydrophobicContact CD2-CG2 3.93Å; Y378-T501 HydrophobicContact CG-CG2 4.4Å; Y378-H543 AromaticContact CD2-CD2 3.66Å; Y378-H543 HydrophobicContact CE2-CB 4.03Å; Y378-H543 AromaticContact CE2-CD2 3.77Å; Y378-H543 AromaticContact CG-CD2 4Å; Y378-H543 PolarHBondContact O-NE2 2.96Å
379	Q	92.3	Very high	95.3	Very high	96 Å²	96	56.6 Å²	56.6	45%	0.449	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.1	-179	-169.5	172.1	-17.5	0	0	114.2	H377 Y468 Y552	H377-Q379 VanDerWaalsContact ND1-CB 3.29Å; H377-Q379 WeakPolarHBondContact ND1-CB 3.29Å; H377-Q379 PolarHBondContact ND1-N 2.65Å; H377-Q379 PolarHBondContact O-N 2.83Å; H377-Q379 VanDerWaalsContact O-N 3.09Å; Q379-Y468 HydrophobicContact CB-CD2 3.76Å; Q379-Y468 HydrophobicContact CB-CE2 4.17Å; Q379-Y468 HydrophobicContact CG-CD2 4.13Å; Q379-Y468 HydrophobicContact CG-CE2 4.25Å; Q379-Y552 WeakPolarHBondContact O-CE2 3.33Å
380	F	93.1	Very high	95.2	Very high	113 Å²	113	62.1 Å²	62.1	50%	0.496	30%	0.295	S	S	.	.	S	Bend	trans	-102.8	168.5	-175	-52.7	-72.8	0	0	0	112.1	H377 Y378 G382 Y541 H543	H377-F380 HydrophobicContact CB-CD2 3.78Å; H377-F380 HydrophobicContact CB-CE2 3.85Å; H377-F380 PolarHBondContact O-N 3.42Å; Y378-F380 VanDerWaalsContact C-N 3.31Å; Y378-F380 PolarHBondContact O-N 2.99Å; F380-G382 PolarHBondContact O-N 2.68Å; F380-Y541 WeakPolarHBondContact CB-OH 3.23Å; F380-H543 PolarHBondContact O-CE1 3.35Å; F380-H543 PolarHBondContact O-NE2 2.91Å; F380-H543 VanDerWaalsContact O-NE2 3.13Å
381	D	90.4	Very high	95.2	Very high	81 Å²	81	58 Å²	58	43%	0.433	28%	0.276	S	S	.	.			trans	-72.2	-10	-170.6	70.5	-13.5	0	0	0	115.5	K383 Y552	D381-K383 PolarHBondContact OD1-N 3.41Å; D381-Y552 HydrophobicContact CB-CD1 4.06Å; D381-Y552 HydrophobicContact CB-CD2 4.4Å; D381-Y552 HydrophobicContact CB-CE1 4.28Å; D381-Y552 HydrophobicContact CB-CG 4.13Å
382	G	92.6	Very high	95.2	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	91.5	6.4	-176.8	0	0	0	0	0	115.3	F380 P384 E540 Y541	F380-G382 PolarHBondContact O-N 2.68Å; G382-P384 VanDerWaalsContact C-CD 3.49Å; G382-P384 WeakPolarHBondContact O-CD 3.31Å; G382-E540 CarbonylContact O-C 3.59Å; G382-E540 VanDerWaalsContact O-CA 3.29Å; G382-E540 WeakPolarHBondContact O-CA 2.91Å; G382-Y541 WeakPolarHBondContact CA-O 3.37Å; G382-Y541 PolarHBondContact O-N 3.44Å
383	K	94.5	Very high	95.1	Very high	135 Å²	135	56.4 Å²	56.4	59%	0.587	28%	0.278	S	S	*	.			trans	-124.3	69.6	-179.6	-65.5	-177.7	179.5	177.5	0	111.2	D381 E540	D381-K383 PolarHBondContact OD1-N 3.41Å; K383-E540 HydrophobicContact CG-CG 4.3Å
384	P	95.5	Very high	95.1	Very high	33 Å²	33	59.8 Å²	59.8	21%	0.214	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-67.5	154.2	-178	31.2	-36.8	0	0	0	112.5	T375 G382 F539 Y541	T375-P384 HydrophobicContact CG2-CB 3.12Å; T375-P384 HydrophobicContact CG2-CG 3.54Å; G382-P384 VanDerWaalsContact C-CD 3.49Å; G382-P384 WeakPolarHBondContact O-CD 3.31Å; P384-F539 WeakPolarHBondContact CD-O 3.49Å; P384-F539 HydrophobicContact CG-CD2 4.39Å; P384-F539 HydrophobicContact CG-CE1 4.32Å; P384-F539 HydrophobicContact CG-CE2 3.96Å; P384-F539 HydrophobicContact CG-CZ 3.92Å; P384-Y541 HydrophobicContact CG-CD1 4.48Å; P384-Y541 HydrophobicContact CG-CE1 4.2Å
385	E	95.6	Very high	95.3	Very high	163 Å²	163	56.3 Å²	56.3	76%	0.762	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-57.6	147.7	167.9	-76	-65.7	157.6	0	0	111.2	L387	E385-L387 PolarHBondContact O-N 2.7Å
386	P	96.6	Very high	95.3	Very high	41 Å²	41	55.5 Å²	55.5	27%	0.266	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-53	129.3	177.3	-27	36.4	0	0	0	112.1	V388 K538	P386-V388 PolarHBondContact O-N 2.95Å; P386-K538 HydrophobicContact CB-CG 3.84Å; P386-K538 HydrophobicContact CG-CD 4.15Å; P386-K538 HydrophobicContact CG-CG 3.9Å
387	L	97.9	Very high	95.3	Very high	15 Å²	15	58.6 Å²	58.6	8%	0.079	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.7	172.7	-56.5	-177.7	0	0	0	108.8	R371 I372 E385 F389 R536 I537 F539	R371-L387 HydrophobicContact CB-CD1 4.47Å; R371-L387 HydrophobicContact CG-CD1 3.92Å; R371-L387 HydrophobicContact CG-CD2 4.08Å; I372-L387 HydrophobicContact CG1-CD1 3.76Å; E385-L387 PolarHBondContact O-N 2.7Å; L387-F389 HydrophobicContact CB-CE2 3.63Å; L387-F389 HydrophobicContact CB-CZ 4.04Å; L387-F389 HydrophobicContact CD1-CZ 4.44Å; L387-R536 CarbonylContact O-C 3.51Å; L387-R536 VanDerWaalsContact O-CA 3.28Å; L387-R536 WeakPolarHBondContact O-CA 3.13Å; L387-I537 HydrophobicContact CB-CB 4.36Å; L387-I537 PolarHBondContact N-O 3.32Å; L387-I537 PolarHBondContact O-N 2.78Å; L387-F539 HydrophobicContact CD1-CE1 3.81Å; L387-F539 HydrophobicContact CD1-CZ 4.46Å; L387-F539 HydrophobicContact CG-CE1 4.16Å
388	V	96.8	Very high	95.4	Very high	65 Å²	65	57.8 Å²	57.8	39%	0.394	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.8	-177.1	-174	0	0	0	0	110.2	P386 E534 L535 R536	P386-V388 PolarHBondContact O-N 2.95Å; V388-E534 HydrophobicContact CG1-CG 3.57Å; V388-L535 WeakPolarHBondContact CA-O 3.44Å; V388-R536 HydrophobicContact CG1-CG 4.49Å; V388-R536 HydrophobicContact CG2-CG 4.17Å
389	F	97.5	Very high	95.6	Very high	35 Å²	35	56.9 Å²	56.9	15%	0.154	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134	178	-54.9	-87.8	0	0	0	110.4	V368 R371 L387 I391 E534 L535 I537	V368-F389 HydrophobicContact CB-CZ 4.26Å; V368-F389 HydrophobicContact CG1-CE2 4.05Å; V368-F389 HydrophobicContact CG1-CZ 4.01Å; V368-F389 HydrophobicContact CG2-CD1 4.21Å; V368-F389 HydrophobicContact CG2-CE1 3.91Å; V368-F389 HydrophobicContact CG2-CE2 4.25Å; V368-F389 HydrophobicContact CG2-CZ 3.93Å; R371-F389 HydrophobicContact CB-CZ 4.38Å; R371-F389 HydrophobicContact CG-CZ 4.31Å; L387-F389 HydrophobicContact CB-CE2 3.63Å; L387-F389 HydrophobicContact CB-CZ 4.04Å; L387-F389 HydrophobicContact CD1-CZ 4.44Å; F389-I391 HydrophobicContact CB-CG2 3.88Å; F389-E534 WeakPolarHBondContact O-CA 3.1Å; F389-L535 HydrophobicContact CB-CB 4.38Å; F389-L535 HydrophobicContact CD2-CD2 4.48Å; F389-L535 PolarHBondContact N-O 2.86Å; F389-L535 PolarHBondContact O-N 3.15Å; F389-I537 HydrophobicContact CE2-CD1 4.08Å; F389-I537 HydrophobicContact CE2-CG1 4.5Å
390	H	96.6	Very high	95.6	Very high	115 Å²	115	54 Å²	54	53%	0.532	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	111.3	170.5	-62.3	97.8	0	0	0	108.4	I532 G533 E534	H390-I532 HydrophobicContact CB-CG2 3.9Å; H390-G533 WeakPolarHBondContact CA-O 3.46Å; H390-E534 IonicContact NE2-OE2 3.57Å
391	I	97.3	Very high	95.6	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.015	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.8	-170.1	64.2	170.9	0	0	0	112.4	W364 F389 F395 F396 W522 I532 G533 L535	W364-I391 HydrophobicContact CH2-CD1 3.72Å; W364-I391 HydrophobicContact CZ2-CB 4.42Å; W364-I391 HydrophobicContact CZ2-CD1 3.74Å; W364-I391 HydrophobicContact CZ2-CG2 3.54Å; F389-I391 HydrophobicContact CB-CG2 3.88Å; I391-F395 HydrophobicContact CB-CB 4.39Å; I391-F395 HydrophobicContact CD1-CB 4.16Å; I391-F396 HydrophobicContact CD1-CB 4.19Å; I391-W522 HydrophobicContact CD1-CH2 4.43Å; I391-W522 HydrophobicContact CD1-CZ3 3.95Å; I391-W522 HydrophobicContact CG1-CH2 3.83Å; I391-W522 HydrophobicContact CG1-CZ3 3.53Å; I391-I532 WeakPolarHBondContact O-CA 3.24Å; I391-G533 PolarHBondContact N-O 3.04Å; I391-G533 PolarHBondContact O-N 2.88Å; I391-L535 HydrophobicContact CD1-CB 3.97Å; I391-L535 HydrophobicContact CD1-CD2 3.86Å; I391-L535 HydrophobicContact CD1-CG 4.45Å; I391-L535 HydrophobicContact CG1-CB 4.26Å
392	P	96.9	Very high	95.7	Very high	49 Å²	49	52.8 Å²	52.8	32%	0.318	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	144.8	171.7	-22.7	33.8	0	0	0	111.7	S394 F395 F396 K531	P392-S394 PolarHBondContact O-N 2.94Å; P392-S394 VanDerWaalsContact O-N 3.14Å; P392-F395 HydrophobicContact CB-CD1 4.35Å; P392-F395 HydrophobicContact CG-CD1 4.34Å; P392-F395 WeakPolarHBondContact O-CB 3.42Å; P392-F395 PolarHBondContact O-N 3.45Å; P392-F396 PolarHBondContact O-N 3.19Å; P392-K531 CarbonylContact C-O 3.57Å
393	Q	95.8	Very high	95.8	Very high	46 Å²	46	52.8 Å²	52.8	22%	0.215	27%	0.273	C	S	.	.	H	α-helix	trans	-52.1	-37.9	175.1	179.7	63.9	47.1	0	0	112	F395 F396 D397 W522 K531	Q393-F395 VanDerWaalsContact C-N 3.27Å; Q393-F395 PolarHBondContact O-N 2.87Å; Q393-F396 PolarHBondContact O-N 3.36Å; Q393-F396 VanDerWaalsContact O-N 3.13Å; Q393-D397 PolarHBondContact NE2-OD1 3.2Å; Q393-D397 VanDerWaalsContact O-CG 3.22Å; Q393-D397 PolarHBondContact O-N 2.84Å; Q393-W522 VanDerWaalsContact OE1-CZ2 3.29Å; Q393-K531 HydrophobicContact CB-CB 4.41Å; Q393-K531 PolarHBondContact N-O 3.3Å
394	S	96.3	Very high	95.5	Very high	76 Å²	76	47 Å²	47	53%	0.531	25%	0.249	S	C	.	.	H	α-helix	trans	-62	-31.7	178.1	55.8	0	0	0	0	113.5	P392 A398	P392-S394 PolarHBondContact O-N 2.94Å; P392-S394 VanDerWaalsContact O-N 3.14Å; S394-A398 PolarHBondContact O-N 3.17Å; S394-A398 VanDerWaalsContact O-N 3.17Å
395	F	97.3	Very high	95	Very high	30 Å²	30	49.9 Å²	49.9	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-72.5	-41.3	175.7	-80.3	33	0	0	0	110.1	L359 F361 W364 I391 P392 Q393 D397 A398 L399	L359-F395 WeakPolarHBondContact O-CZ 3.42Å; F361-F395 HydrophobicContact CB-CD1 4.49Å; F361-F395 HydrophobicContact CB-CE1 4.47Å; F361-F395 HydrophobicContact CD2-CB 4.04Å; F361-F395 HydrophobicContact CD2-CD2 4.28Å; F361-F395 HydrophobicContact CD2-CG 4.08Å; F361-F395 WeakPolarHBondContact CE2-O 3.42Å; W364-F395 HydrophobicContact CB-CD2 3.97Å; W364-F395 HydrophobicContact CB-CE2 3.51Å; W364-F395 AromaticContact CD2-CD2 3.61Å; W364-F395 HydrophobicContact CD2-CD2 3.61Å; W364-F395 HydrophobicContact CD2-CE2 4.11Å; W364-F395 AromaticContact CE3-CD2 3.71Å; W364-F395 HydrophobicContact CE3-CD2 3.71Å; W364-F395 HydrophobicContact CE3-CE2 4.41Å; W364-F395 AromaticContact CG-CD2 3.7Å; W364-F395 HydrophobicContact CG-CD2 3.7Å; W364-F395 AromaticContact CG-CE2 3.69Å; W364-F395 HydrophobicContact CG-CE2 3.69Å; I391-F395 HydrophobicContact CB-CB 4.39Å; I391-F395 HydrophobicContact CD1-CB 4.16Å; P392-F395 HydrophobicContact CB-CD1 4.35Å; P392-F395 HydrophobicContact CG-CD1 4.34Å; P392-F395 WeakPolarHBondContact O-CB 3.42Å; P392-F395 PolarHBondContact O-N 3.45Å; Q393-F395 VanDerWaalsContact C-N 3.27Å; Q393-F395 PolarHBondContact O-N 2.87Å; F395-D397 VanDerWaalsContact C-N 3.33Å; F395-D397 PolarHBondContact O-N 3.09Å; F395-A398 PolarHBondContact O-N 3.25Å; F395-L399 PolarHBondContact O-N 3.37Å
396	F	96.7	Very high	93.8	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-40.1	173.5	-176.9	-100.9	0	0	0	112	I391 P392 Q393 A398 L399 Q400 W435 W522 L535	I391-F396 HydrophobicContact CD1-CB 4.19Å; P392-F396 PolarHBondContact O-N 3.19Å; Q393-F396 PolarHBondContact O-N 3.36Å; Q393-F396 VanDerWaalsContact O-N 3.13Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-A398 PolarHBondContact O-N 3.19Å; F396-L399 HydrophobicContact CD2-CD2 4.39Å; F396-L399 CarbonylContact O-C 3.57Å; F396-L399 WeakPolarHBondContact O-CB 3.46Å; F396-L399 PolarHBondContact O-N 3.06Å; F396-L399 VanDerWaalsContact O-N 3.11Å; F396-Q400 HydrophobicContact CE1-CB 4.18Å; F396-Q400 HydrophobicContact CZ-CB 4.39Å; F396-Q400 WeakPolarHBondContact O-CB 3.08Å; F396-Q400 PolarHBondContact O-N 3.14Å; F396-W435 HydrophobicContact CE1-CH2 4.1Å; F396-W435 HydrophobicContact CE2-CZ3 4.28Å; F396-W435 HydrophobicContact CZ-CE3 4.48Å; F396-W435 AromaticContact CZ-CH2 3.51Å; F396-W435 HydrophobicContact CZ-CH2 3.51Å; F396-W435 HydrophobicContact CZ-CZ2 4.35Å; F396-W435 AromaticContact CZ-CZ3 3.58Å; F396-W435 HydrophobicContact CZ-CZ3 3.58Å; F396-W522 HydrophobicContact CB-CD2 4Å; F396-W522 HydrophobicContact CB-CE3 4.09Å; F396-W522 HydrophobicContact CB-CH2 3.75Å; F396-W522 HydrophobicContact CB-CZ2 3.67Å; F396-W522 HydrophobicContact CB-CZ3 3.99Å; F396-W522 AromaticContact CD1-CD1 3.52Å; F396-W522 AromaticContact CD1-CD2 3.75Å; F396-W522 HydrophobicContact CD1-CD2 3.75Å; F396-W522 AromaticContact CD1-CE2 3.6Å; F396-W522 AromaticContact CD1-CG 3.71Å; F396-W522 HydrophobicContact CD1-CG 3.71Å; F396-W522 HydrophobicContact CD1-CZ2 4.28Å; F396-W522 AromaticContact CD1-NE1 3.44Å; F396-W522 HydrophobicContact CD2-CB 4.01Å; F396-W522 AromaticContact CD2-CD2 3.48Å; F396-W522 HydrophobicContact CD2-CD2 3.48Å; F396-W522 VanDerWaalsContact CD2-CD2 3.48Å; F396-W522 AromaticContact CD2-CE3 3.59Å; F396-W522 HydrophobicContact CD2-CE3 3.59Å; F396-W522 AromaticContact CD2-CG 3.69Å; F396-W522 HydrophobicContact CD2-CG 3.69Å; F396-W522 HydrophobicContact CD2-CZ3 4.26Å; F396-W522 HydrophobicContact CE1-CB 4.03Å; F396-W522 AromaticContact CE1-CD1 3.36Å; F396-W522 HydrophobicContact CE1-CD2 4.12Å; F396-W522 AromaticContact CE1-CG 3.56Å; F396-W522 HydrophobicContact CE1-CG 3.56Å; F396-W522 AromaticContact CE1-NE1 3.8Å; F396-W522 HydrophobicContact CE2-CB 3.44Å; F396-W522 VanDerWaalsContact CE2-CB 3.44Å; F396-W522 AromaticContact CE2-CD2 3.9Å; F396-W522 HydrophobicContact CE2-CD2 3.9Å; F396-W522 HydrophobicContact CE2-CE3 4.23Å; F396-W522 AromaticContact CE2-CG 3.56Å; F396-W522 HydrophobicContact CE2-CG 3.56Å; F396-W522 AromaticContact CG-CD2 3.41Å; F396-W522 HydrophobicContact CG-CD2 3.41Å; F396-W522 VanDerWaalsContact CG-CD2 3.41Å; F396-W522 AromaticContact CG-CE2 3.5Å; F396-W522 AromaticContact CG-CE3 3.8Å; F396-W522 HydrophobicContact CG-CE3 3.8Å; F396-W522 AromaticContact CG-CG 3.76Å; F396-W522 HydrophobicContact CG-CG 3.76Å; F396-W522 HydrophobicContact CG-CH2 4.26Å; F396-W522 AromaticContact CG-CZ2 3.95Å; F396-W522 HydrophobicContact CG-CZ2 3.95Å; F396-W522 HydrophobicContact CG-CZ3 4.22Å; F396-W522 AromaticContact CG-NE1 3.87Å; F396-W522 HydrophobicContact CZ-CB 3.45Å; F396-W522 VanDerWaalsContact CZ-CB 3.45Å; F396-W522 AromaticContact CZ-CD1 3.76Å; F396-W522 HydrophobicContact CZ-CD2 4.2Å; F396-W522 AromaticContact CZ-CG 3.5Å; F396-W522 HydrophobicContact CZ-CG 3.5Å; F396-W522 VanDerWaalsContact CZ-CG 3.5Å; F396-L535 HydrophobicContact CD2-CD1 3.96Å; F396-L535 HydrophobicContact CE2-CD1 4.03Å
397	D	95.1	Very high	92.4	Very high	66 Å²	66	47.8 Å²	47.8	35%	0.353	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-41.5	176.9	-65.8	-23.3	0	0	0	111.4	Q393 F395 Q400 Q401	Q393-D397 PolarHBondContact NE2-OD1 3.2Å; Q393-D397 VanDerWaalsContact O-CG 3.22Å; Q393-D397 PolarHBondContact O-N 2.84Å; F395-D397 VanDerWaalsContact C-N 3.33Å; F395-D397 PolarHBondContact O-N 3.09Å; D397-Q400 PolarHBondContact O-N 2.89Å; D397-Q401 WeakPolarHBondContact O-CG 3.49Å; D397-Q401 PolarHBondContact O-N 2.91Å
398	A	96	Very high	90.6	Very high	26 Å²	26	52.6 Å²	52.6	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-65.9	-39.8	173.5	0	0	0	0	0	112.5	F361 S394 F395 F396 Q401 R402	F361-A398 HydrophobicContact CD1-CB 4.02Å; F361-A398 HydrophobicContact CD2-CB 3.75Å; F361-A398 HydrophobicContact CE1-CB 3.97Å; F361-A398 HydrophobicContact CE2-CB 3.67Å; F361-A398 HydrophobicContact CG-CB 3.92Å; F361-A398 HydrophobicContact CZ-CB 3.79Å; S394-A398 PolarHBondContact O-N 3.17Å; S394-A398 VanDerWaalsContact O-N 3.17Å; F395-A398 PolarHBondContact O-N 3.25Å; F396-A398 VanDerWaalsContact C-N 3.3Å; F396-A398 PolarHBondContact O-N 3.19Å; A398-Q401 WeakPolarHBondContact O-CB 3.42Å; A398-Q401 PolarHBondContact O-N 3Å; A398-R402 PolarHBondContact O-N 2.82Å
399	L	96.3	Very high	89.4	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-64.6	-42	174	-173.9	66.6	0	0	0	111.6	F361 W364 L365 F395 F396 Q401 R402 I403 I446 I520 L535	F361-L399 HydrophobicContact CE2-CB 4.14Å; F361-L399 HydrophobicContact CZ-CB 4.27Å; W364-L399 HydrophobicContact CH2-CD2 4.5Å; L365-L399 HydrophobicContact CD1-CD1 4.19Å; F395-L399 PolarHBondContact O-N 3.37Å; F396-L399 HydrophobicContact CD2-CD2 4.39Å; F396-L399 CarbonylContact O-C 3.57Å; F396-L399 WeakPolarHBondContact O-CB 3.46Å; F396-L399 PolarHBondContact O-N 3.06Å; F396-L399 VanDerWaalsContact O-N 3.11Å; L399-Q401 VanDerWaalsContact C-N 3.3Å; L399-Q401 PolarHBondContact O-N 3.35Å; L399-R402 WeakPolarHBondContact O-CA 3.16Å; L399-R402 WeakPolarHBondContact O-CB 3.41Å; L399-R402 PolarHBondContact O-N 3.34Å; L399-I403 HydrophobicContact CG-CD1 4.32Å; L399-I403 WeakPolarHBondContact O-CG1 3.49Å; L399-I403 PolarHBondContact O-N 3.43Å; L399-I446 HydrophobicContact CD1-CG2 3.74Å; L399-I520 HydrophobicContact CD2-CG2 4.43Å; L399-L535 HydrophobicContact CD2-CD1 3.93Å; L399-L535 HydrophobicContact CD2-CD2 3.79Å
400	Q	93.8	Very high	88.5	Confident	37 Å²	37	63.1 Å²	63.1	17%	0.173	36%	0.362	C	S	.	.	H	α-helix	trans	-63.2	-37	176.9	-174.2	-176.4	72.3	0	0	111.7	F396 D397 R402 I403 S404	F396-Q400 HydrophobicContact CE1-CB 4.18Å; F396-Q400 HydrophobicContact CZ-CB 4.39Å; F396-Q400 WeakPolarHBondContact O-CB 3.08Å; F396-Q400 PolarHBondContact O-N 3.14Å; D397-Q400 PolarHBondContact O-N 2.89Å; Q400-R402 VanDerWaalsContact C-N 3.32Å; Q400-I403 PolarHBondContact O-N 3.06Å; Q400-S404 WeakPolarHBondContact O-CB 3.19Å; Q400-S404 PolarHBondContact O-N 2.88Å; Q400-S404 VanDerWaalsContact O-N 3.07Å; Q400-S404 PolarHBondContact O-OG 3.29Å
401	Q	91.8	Very high	87.8	Confident	135 Å²	135	60.5 Å²	60.5	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-58.3	-47.1	170.3	-73.3	178.6	5.6	0	0	110.4	D397 A398 L399 I403 S404 I405	D397-Q401 WeakPolarHBondContact O-CG 3.49Å; D397-Q401 PolarHBondContact O-N 2.91Å; A398-Q401 WeakPolarHBondContact O-CB 3.42Å; A398-Q401 PolarHBondContact O-N 3Å; L399-Q401 VanDerWaalsContact C-N 3.3Å; L399-Q401 PolarHBondContact O-N 3.35Å; Q401-I403 PolarHBondContact O-N 2.91Å; Q401-S404 CarbonylContact O-C 3.48Å; Q401-S404 WeakPolarHBondContact O-CA 3.38Å; Q401-S404 PolarHBondContact O-N 2.76Å; Q401-I405 WeakPolarHBondContact O-CG1 3.38Å; Q401-I405 PolarHBondContact O-N 2.94Å; Q401-I405 VanDerWaalsContact O-N 3.09Å
402	R	93.9	Very high	87.3	Confident	33 Å²	33	67 Å²	67	13%	0.125	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-42.9	176.2	-67.8	-165.3	176.7	-155.6	4.5	113.5	A398 L399 Q400 S404 I405 I446 D448	A398-R402 PolarHBondContact O-N 2.82Å; L399-R402 WeakPolarHBondContact O-CA 3.16Å; L399-R402 WeakPolarHBondContact O-CB 3.41Å; L399-R402 PolarHBondContact O-N 3.34Å; Q400-R402 VanDerWaalsContact C-N 3.32Å; R402-S404 PolarHBondContact O-N 3.41Å; R402-I405 HydrophobicContact CB-CD1 4.19Å; R402-I405 HydrophobicContact CG-CD1 4.14Å; R402-I405 PolarHBondContact O-N 3.48Å; R402-I446 HydrophobicContact CB-CG1 4.46Å; R402-I446 HydrophobicContact CB-CG2 4.41Å; R402-I446 WeakPolarHBondContact CD-O 3.46Å; R402-I446 PolarHBondContact NH1-O 3.13Å; R402-D448 PolarHBondContact NH1-O 3.32Å
403	I	93.1	Very high	87	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-58.8	-31.5	174.9	-66.1	167	0	0	0	111.5	L399 Q400 Q401 R411 W435 Q442 I446 I520	L399-I403 HydrophobicContact CG-CD1 4.32Å; L399-I403 WeakPolarHBondContact O-CG1 3.49Å; L399-I403 PolarHBondContact O-N 3.43Å; Q400-I403 PolarHBondContact O-N 3.06Å; Q401-I403 PolarHBondContact O-N 2.91Å; I403-R411 HydrophobicContact CG2-CB 4.44Å; I403-W435 HydrophobicContact CG2-CG 4.25Å; I403-Q442 PolarHBondContact O-NE2 3.41Å; I403-I446 HydrophobicContact CB-CD1 4.37Å; I403-I446 HydrophobicContact CG1-CD1 3.93Å; I403-I446 HydrophobicContact CG1-CG1 4.3Å; I403-I446 HydrophobicContact CG1-CG2 4.25Å; I403-I520 HydrophobicContact CD1-CD1 3.85Å; I403-I520 HydrophobicContact CD1-CG2 4.38Å; I403-I520 HydrophobicContact CG1-CD1 4.19Å
404	S	89.4	Confident	86.9	Confident	14 Å²	14	68.3 Å²	68.3	10%	0.098	39%	0.389	C	S	.	.	H	α-helix	trans	-91.8	-6.3	-177.4	-53.8	0	0	0	0	114.4	Q400 Q401 R402 G406 S407 R411	Q400-S404 WeakPolarHBondContact O-CB 3.19Å; Q400-S404 PolarHBondContact O-N 2.88Å; Q400-S404 VanDerWaalsContact O-N 3.07Å; Q400-S404 PolarHBondContact O-OG 3.29Å; Q401-S404 CarbonylContact O-C 3.48Å; Q401-S404 WeakPolarHBondContact O-CA 3.38Å; Q401-S404 PolarHBondContact O-N 2.76Å; R402-S404 PolarHBondContact O-N 3.41Å; S404-G406 PolarHBondContact O-N 3.32Å; S404-S407 PolarHBondContact O-N 3.15Å; S404-S407 VanDerWaalsContact O-N 3.15Å; S404-R411 PolarHBondContact OG-N 2.92Å
405	I	84.6	Confident	86.7	Confident	92 Å²	92	66.7 Å²	66.7	47%	0.472	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	131.8	-178.3	-64.1	167.7	0	0	0	109.6	Q401 R402	Q401-I405 WeakPolarHBondContact O-CG1 3.38Å; Q401-I405 PolarHBondContact O-N 2.94Å; Q401-I405 VanDerWaalsContact O-N 3.09Å; R402-I405 HydrophobicContact CB-CD1 4.19Å; R402-I405 HydrophobicContact CG-CD1 4.14Å; R402-I405 PolarHBondContact O-N 3.48Å
406	G	70.3	Confident	86.6	Confident	86 Å²	86	69.2 Å²	69.2	89%	0.887	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.4	-7.6	-176.2	0	0	0	0	0	114	S404	S404-G406 PolarHBondContact O-N 3.32Å
407	S	66.6	Low	86.4	Confident	74 Å²	74	71.9 Å²	71.9	52%	0.517	41%	0.412	S	S	.	.	S	Bend	trans	-117.9	142.5	171.7	171.6	0	0	0	0	110.6	S404 K409	S404-S407 PolarHBondContact O-N 3.15Å; S404-S407 VanDerWaalsContact O-N 3.15Å; S407-K409 WeakPolarHBondContact CB-O 3.24Å; S407-K409 PolarHBondContact O-N 3Å; S407-K409 PolarHBondContact OG-N 2.79Å; S407-K409 PolarHBondContact OG-O 2.91Å
408	A	59.8	Low	86.2	Confident	116 Å²	116	72.5 Å²	72.5	96%	0.959	43%	0.427	S	S	*	.	S	Bend	trans	-71.4	-14.3	174.3	0	0	0	0	0	113
409	K	73.4	Confident	85.9	Confident	171 Å²	171	74 Å²	74	74%	0.743	43%	0.428	S	S	*	.	S	Bend	trans	-118.3	147.1	178.8	-62.9	-176.4	-179.9	-177.6	0	110	S407 R411	S407-K409 WeakPolarHBondContact CB-O 3.24Å; S407-K409 PolarHBondContact O-N 3Å; S407-K409 PolarHBondContact OG-N 2.79Å; S407-K409 PolarHBondContact OG-O 2.91Å; K409-R411 PolarHBondContact O-N 2.94Å
410	K	76.9	Confident	85.5	Confident	150 Å²	150	77.5 Å²	77.5	65%	0.652	45%	0.449	S	S	*	.			trans	-52.6	129.5	171.7	-70	-170	176.7	-169.1	0	109.5	L412	K410-L412 PolarHBondContact O-N 3.13Å; K410-L412 VanDerWaalsContact O-N 3.15Å
411	R	82.4	Confident	85.3	Confident	61 Å²	61	77.9 Å²	77.9	23%	0.23	45%	0.449	C	S	.	.			trans	-71.6	109.8	175.3	-179.1	175	174.3	-172.8	-2.1	108.1	I403 S404 K409 N414 W435 H436 Q442	I403-R411 HydrophobicContact CG2-CB 4.44Å; S404-R411 PolarHBondContact OG-N 2.92Å; K409-R411 PolarHBondContact O-N 2.94Å; R411-N414 PolarHBondContact NH2-OD1 3.18Å; R411-W435 PolarHBondContact O-NE1 3.03Å; R411-W435 VanDerWaalsContact O-NE1 3.1Å; R411-H436 PolarHBondContact NH2-O 3.09Å; R411-Q442 VanDerWaalsContact NH1-OE1 3.16Å
412	L	87.6	Confident	85.1	Confident	140 Å²	140	79.1 Å²	79.1	73%	0.733	45%	0.453	S	S	*	.			trans	-61.6	150.9	173.2	-65.9	178.4	0	0	0	110.3	K410 W435	K410-L412 PolarHBondContact O-N 3.13Å; K410-L412 VanDerWaalsContact O-N 3.15Å; L412-W435 PolarHBondContact O-NE1 3.21Å
413	P	91.1	Very high	84.7	Confident	31 Å²	31	85.3 Å²	85.3	20%	0.201	49%	0.488	C	S	.	.			trans	-57.6	147.6	172.2	26	-34.2	0	0	0	110.3	S415 Y433 T434 W435	P413-S415 VanDerWaalsContact C-N 3.25Å; P413-Y433 HydrophobicContact CG-CD1 3.92Å; P413-T434 CarbonylContact C-O 3.51Å; P413-W435 HydrophobicContact CB-CD2 4.23Å; P413-W435 HydrophobicContact CB-CH2 4.2Å; P413-W435 HydrophobicContact CB-CZ2 3.81Å; P413-W435 HydrophobicContact CG-CZ2 4.28Å
414	N	92.7	Very high	84.2	Confident	90 Å²	90	87.3 Å²	87.3	48%	0.481	51%	0.505	S	S	.	.	S	Bend	trans	-66.1	-33.3	172.9	-73.2	89.6	0	0	0	111	R411 T434 H436	R411-N414 PolarHBondContact NH2-OD1 3.18Å; N414-T434 WeakPolarHBondContact CB-O 3.48Å; N414-T434 PolarHBondContact N-O 3.44Å; N414-H436 PolarHBondContact OD1-N 3.17Å
415	S	93.1	Very high	83.9	Confident	43 Å²	43	93.5 Å²	93.5	30%	0.301	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	147.7	172.9	58.8	0	0	0	0	111.7	P413 T434	P413-S415 VanDerWaalsContact C-N 3.25Å; S415-T434 PolarHBondContact N-O 3.23Å; S415-T434 PolarHBondContact O-N 2.92Å; S415-T434 WeakPolarHBondContact OG-CB 3.22Å
416	T	94.3	Very high	84	Confident	83 Å²	83	91 Å²	91	51%	0.509	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	120	170.9	-56.8	0	0	0	0	107.3	K432 Y433	T416-K432 WeakPolarHBondContact CA-O 3.45Å; T416-Y433 HydrophobicContact CG2-CD1 3.72Å; T416-Y433 HydrophobicContact CG2-CE1 3.58Å; T416-Y433 WeakPolarHBondContact OG1-CD1 3.37Å
417	T	93.3	Very high	84.8	Confident	60 Å²	60	91.9 Å²	91.9	37%	0.368	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144	-176	56.5	0	0	0	0	110.7	F419 K432	T417-F419 PolarHBondContact O-N 2.93Å; T417-K432 PolarHBondContact N-O 3.35Å; T417-K432 PolarHBondContact O-N 3.01Å; T417-K432 WeakPolarHBondContact OG1-CE 3.45Å
418	A	90	Very high	85.8	Confident	79 Å²	79	89.8 Å²	89.8	65%	0.653	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	121.5	166.6	0	0	0	0	0	109.4	T429 F430	A418-T429 HydrophobicContact CB-CG2 3.94Å; A418-F430 CarbonylContact C-O 3.55Å; A418-F430 WeakPolarHBondContact CA-O 3.32Å
419	F	89	Confident	87.2	Confident	56 Å²	56	89 Å²	89	25%	0.246	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.8	178.8	175.9	-106.3	0	0	0	109.1	T417 R421 T429 F430 K432 I523	T417-F419 PolarHBondContact O-N 2.93Å; F419-R421 HydrophobicContact CE1-CB 4Å; F419-R421 HydrophobicContact CE1-CG 4.14Å; F419-T429 WeakPolarHBondContact O-CA 3.15Å; F419-F430 HydrophobicContact CD1-CD2 4.38Å; F419-F430 PolarHBondContact N-O 3.47Å; F419-F430 PolarHBondContact O-N 3.11Å; F419-K432 HydrophobicContact CB-CB 3.98Å; F419-I523 HydrophobicContact CD1-CD1 3.67Å; F419-I523 HydrophobicContact CE1-CD1 4.05Å; F419-I523 HydrophobicContact CG-CD1 4.24Å
420	V	88.8	Confident	88.1	Confident	75 Å²	75	82.4 Å²	82.4	46%	0.455	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	120.7	179.3	-173	0	0	0	0	109	K422 G428 T429	V420-K422 HydrophobicContact CG1-CG 3.97Å; V420-G428 CarbonylContact C-O 3.59Å; V420-G428 WeakPolarHBondContact CA-O 3.27Å; V420-T429 HydrophobicContact CG2-CG2 4.11Å
421	R	89.2	Confident	88.9	Confident	45 Å²	45	78.1 Å²	78.1	17%	0.17	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.7	177.3	-156.7	178.6	-179.6	143.1	-1.2	109	F419 A424 P426 L427 G428 F430 E534	F419-R421 HydrophobicContact CE1-CB 4Å; F419-R421 HydrophobicContact CE1-CG 4.14Å; R421-A424 WeakPolarHBondContact CD-O 3.43Å; R421-A424 VanDerWaalsContact CG-O 3.23Å; R421-A424 WeakPolarHBondContact CG-O 3.45Å; R421-A424 PolarHBondContact NE-O 3.03Å; R421-A424 VanDerWaalsContact NE-O 3.11Å; R421-P426 WeakPolarHBondContact CD-O 3.32Å; R421-L427 WeakPolarHBondContact O-CA 3.39Å; R421-G428 PolarHBondContact N-O 3.25Å; R421-G428 PolarHBondContact O-N 3.45Å; R421-G428 VanDerWaalsContact O-N 3.11Å; R421-F430 HydrophobicContact CB-CD2 4.3Å; R421-F430 HydrophobicContact CB-CE2 3.99Å; R421-E534 IonicContact CZ-OE2 3.91Å; R421-E534 IonicContact NH1-OE1 2.84Å; R421-E534 IonicContact NH1-OE2 2.98Å; R421-E534 PolarHBondContact NH1-OE2 3.33Å; R421-E534 IonicContact NH2-OE2 2.86Å
422	K	87.6	Confident	89.5	Confident	161 Å²	161	77 Å²	77	70%	0.7	44%	0.441	S	S	*	.			trans	-113.3	-25.6	-178.5	-62.3	-172.2	-178.9	-179.7	0	113.8	V420 L427	V420-K422 HydrophobicContact CG1-CG 3.97Å; K422-L427 VanDerWaalsContact C-CD2 3.45Å; K422-L427 WeakPolarHBondContact O-CD2 3.13Å
423	D	85.6	Confident	89.9	Confident	163 Å²	163	73.8 Å²	73.8	87%	0.872	42%	0.419	S	S	*	.	S	Bend	trans	-104.8	-5.1	-168.4	-46.7	-54.9	0	0	0	113.4
424	A	82.1	Confident	90.2	Very high	43 Å²	43	72.6 Å²	72.6	36%	0.355	41%	0.411	S	S	.	.	S	Bend	trans	-151.7	140.5	179.8	0	0	0	0	0	111.4	R421	R421-A424 WeakPolarHBondContact CD-O 3.43Å; R421-A424 VanDerWaalsContact CG-O 3.23Å; R421-A424 WeakPolarHBondContact CG-O 3.45Å; R421-A424 PolarHBondContact NE-O 3.03Å; R421-A424 VanDerWaalsContact NE-O 3.11Å
425	L	83.9	Confident	90.4	Very high	144 Å²	144	68.4 Å²	68.4	75%	0.754	39%	0.388	S	S	*	.	S	Bend	trans	-64.5	150.9	176.3	-69.7	167.9	0	0	0	111.9	L427	L425-L427 HydrophobicContact CD2-CG 4.01Å
426	P	85.6	Confident	90.6	Very high	39 Å²	39	69.3 Å²	69.3	25%	0.253	39%	0.388	S	S	.	.	S	Bend	cis	-69.7	134.8	-11.7	31	-36.7	0	0	0	111.5	R421 F430 I526	R421-P426 WeakPolarHBondContact CD-O 3.32Å; P426-F430 HydrophobicContact CB-CZ 3.97Å; P426-F430 HydrophobicContact CG-CE1 4.13Å; P426-F430 HydrophobicContact CG-CE2 4.45Å; P426-F430 HydrophobicContact CG-CZ 3.62Å; P426-F430 VanDerWaalsContact O-CE2 3.31Å; P426-F430 WeakPolarHBondContact O-CE2 3.34Å; P426-F430 WeakPolarHBondContact O-CZ 3.33Å; P426-I526 HydrophobicContact CG-CG2 3.84Å; P426-I526 WeakPolarHBondContact CG-O 3.14Å
427	L	87.6	Confident	90.6	Very high	105 Å²	105	65.4 Å²	65.4	55%	0.55	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-76	141.4	176	-59.8	178.3	0	0	0	109.7	R421 K422 L425	R421-L427 WeakPolarHBondContact O-CA 3.39Å; K422-L427 VanDerWaalsContact C-CD2 3.45Å; K422-L427 WeakPolarHBondContact O-CD2 3.13Å; L425-L427 HydrophobicContact CD2-CG 4.01Å
428	G	87	Confident	90.7	Very high	31 Å²	31	66 Å²	66	32%	0.32	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.9	-173.1	176.6	0	0	0	0	0	114.1	V420 R421 F430	V420-G428 CarbonylContact C-O 3.59Å; V420-G428 WeakPolarHBondContact CA-O 3.27Å; R421-G428 PolarHBondContact N-O 3.25Å; R421-G428 PolarHBondContact O-N 3.45Å; R421-G428 VanDerWaalsContact O-N 3.11Å; G428-F430 WeakPolarHBondContact O-CE2 3.44Å
429	T	90	Very high	90.9	Very high	98 Å²	98	66 Å²	66	60%	0.601	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.6	176.5	-56.5	0	0	0	0	109.1	A418 F419 V420	A418-T429 HydrophobicContact CB-CG2 3.94Å; F419-T429 WeakPolarHBondContact O-CA 3.15Å; V420-T429 HydrophobicContact CG2-CG2 4.11Å
430	F	91.9	Very high	91.1	Very high	34 Å²	34	65.3 Å²	65.3	15%	0.149	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	154.4	-177.3	-57.2	-86.4	0	0	0	111.2	A418 F419 R421 P426 G428 I523	A418-F430 CarbonylContact C-O 3.55Å; A418-F430 WeakPolarHBondContact CA-O 3.32Å; F419-F430 HydrophobicContact CD1-CD2 4.38Å; F419-F430 PolarHBondContact N-O 3.47Å; F419-F430 PolarHBondContact O-N 3.11Å; R421-F430 HydrophobicContact CB-CD2 4.3Å; R421-F430 HydrophobicContact CB-CE2 3.99Å; P426-F430 HydrophobicContact CB-CZ 3.97Å; P426-F430 HydrophobicContact CG-CE1 4.13Å; P426-F430 HydrophobicContact CG-CE2 4.45Å; P426-F430 HydrophobicContact CG-CZ 3.62Å; P426-F430 VanDerWaalsContact O-CE2 3.31Å; P426-F430 WeakPolarHBondContact O-CE2 3.34Å; P426-F430 WeakPolarHBondContact O-CZ 3.33Å; G428-F430 WeakPolarHBondContact O-CE2 3.44Å; F430-I523 HydrophobicContact CB-CG2 3.55Å; F430-I523 HydrophobicContact CD1-CG2 4.18Å; F430-I523 HydrophobicContact CG-CG2 4Å
431	S	93.3	Very high	91.4	Very high	59 Å²	59	67.4 Å²	67.4	41%	0.413	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	119.1	169	-67.8	0	0	0	0	109.5	P524	S431-P524 WeakPolarHBondContact O-CD 3.27Å
432	K	95.7	Very high	91.6	Very high	39 Å²	39	67.3 Å²	67.3	17%	0.17	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.7	174.3	-174.4	179.5	71.8	159	0	110.1	T416 T417 F419 E521 I523	T416-K432 WeakPolarHBondContact CA-O 3.45Å; T417-K432 PolarHBondContact N-O 3.35Å; T417-K432 PolarHBondContact O-N 3.01Å; T417-K432 WeakPolarHBondContact OG1-CE 3.45Å; F419-K432 HydrophobicContact CB-CB 3.98Å; K432-E521 HydrophobicContact CD-CB 4.39Å; K432-E521 HydrophobicContact CD-CG 4.45Å; K432-E521 HydrophobicContact CG-CB 4.4Å; K432-E521 IonicContact NZ-OE1 3.48Å; K432-E521 PolarHBondContact NZ-OE1 3.49Å; K432-I523 HydrophobicContact CB-CD1 4.47Å; K432-I523 HydrophobicContact CB-CG1 4.01Å; K432-I523 HydrophobicContact CD-CD1 4.49Å; K432-I523 HydrophobicContact CG-CD1 4.36Å; K432-I523 HydrophobicContact CG-CG1 3.93Å
433	Y	96.7	Very high	92	Very high	72 Å²	72	59.7 Å²	59.7	28%	0.282	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.1	176.3	-54.8	-78.1	0	0	0	109.9	P413 T416 W435 E521 W522 P524	P413-Y433 HydrophobicContact CG-CD1 3.92Å; T416-Y433 HydrophobicContact CG2-CD1 3.72Å; T416-Y433 HydrophobicContact CG2-CE1 3.58Å; T416-Y433 WeakPolarHBondContact OG1-CD1 3.37Å; Y433-W435 VanDerWaalsContact CB-CZ3 3.45Å; Y433-W435 HydrophobicContact CG-CH2 4.25Å; Y433-W435 WeakPolarHBondContact O-CZ3 3.47Å; Y433-E521 CarbonylContact O-C 3.57Å; Y433-E521 VanDerWaalsContact O-CA 3.27Å; Y433-E521 WeakPolarHBondContact O-CA 3.45Å; Y433-W522 AromaticContact CD2-CD1 4Å; Y433-W522 PolarHBondContact N-O 3.35Å; Y433-W522 PolarHBondContact O-N 3.48Å; Y433-P524 HydrophobicContact CE2-CG 3.97Å
434	T	97.2	Very high	92.5	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.4	-174.8	-50.5	0	0	0	0	111.1	P413 N414 S415 I519 I520 E521	P413-T434 CarbonylContact C-O 3.51Å; N414-T434 WeakPolarHBondContact CB-O 3.48Å; N414-T434 PolarHBondContact N-O 3.44Å; S415-T434 PolarHBondContact N-O 3.23Å; S415-T434 PolarHBondContact O-N 2.92Å; S415-T434 WeakPolarHBondContact OG-CB 3.22Å; T434-I519 HydrophobicContact CG2-CG2 3.56Å; T434-I520 WeakPolarHBondContact CA-O 3.5Å; T434-E521 HydrophobicContact CG2-CG 4.02Å
435	W	96.8	Very high	93	Very high	2 Å²	2	57 Å²	57	1%	0.008	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.6	171.9	-67.3	-98	0	0	0	110	F396 I403 R411 L412 P413 Y433 I519 I520 W522	F396-W435 HydrophobicContact CE1-CH2 4.1Å; F396-W435 HydrophobicContact CE2-CZ3 4.28Å; F396-W435 HydrophobicContact CZ-CE3 4.48Å; F396-W435 AromaticContact CZ-CH2 3.51Å; F396-W435 HydrophobicContact CZ-CH2 3.51Å; F396-W435 HydrophobicContact CZ-CZ2 4.35Å; F396-W435 AromaticContact CZ-CZ3 3.58Å; F396-W435 HydrophobicContact CZ-CZ3 3.58Å; I403-W435 HydrophobicContact CG2-CG 4.25Å; R411-W435 PolarHBondContact O-NE1 3.03Å; R411-W435 VanDerWaalsContact O-NE1 3.1Å; L412-W435 PolarHBondContact O-NE1 3.21Å; P413-W435 HydrophobicContact CB-CD2 4.23Å; P413-W435 HydrophobicContact CB-CH2 4.2Å; P413-W435 HydrophobicContact CB-CZ2 3.81Å; P413-W435 HydrophobicContact CG-CZ2 4.28Å; Y433-W435 VanDerWaalsContact CB-CZ3 3.45Å; Y433-W435 HydrophobicContact CG-CH2 4.25Å; Y433-W435 WeakPolarHBondContact O-CZ3 3.47Å; W435-I519 WeakPolarHBondContact O-CA 3.45Å; W435-I520 PolarHBondContact N-O 2.98Å; W435-I520 PolarHBondContact O-N 3.21Å; W435-W522 HydrophobicContact CZ3-CB 3.93Å
436	H	96.1	Very high	93.6	Very high	63 Å²	63	50.2 Å²	50.2	29%	0.292	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.7	173.8	-64.6	89.9	0	0	0	109.1	R411 N414 P517	R411-H436 PolarHBondContact NH2-O 3.09Å; N414-H436 PolarHBondContact OD1-N 3.17Å; H436-P517 HydrophobicContact CB-CB 3.98Å
437	I	95.2	Very high	94.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	109.8	-176.4	-52	173	0	0	0	107.9	Q442 V443 I446 V505 F518 I520	I437-Q442 HydrophobicContact CG2-CB 4.01Å; I437-Q442 HydrophobicContact CG2-CG 4.03Å; I437-V443 HydrophobicContact CB-CG2 4.1Å; I437-V443 HydrophobicContact CG2-CG2 3.54Å; I437-I446 HydrophobicContact CD1-CD1 3.45Å; I437-I446 VanDerWaalsContact CD1-CD1 3.45Å; I437-V505 WeakPolarHBondContact O-CG1 3.31Å; I437-F518 HydrophobicContact CB-CB 4.31Å; I437-F518 WeakPolarHBondContact CB-O 3.48Å; I437-F518 PolarHBondContact N-O 2.79Å; I437-F518 PolarHBondContact O-N 2.77Å; I437-I520 HydrophobicContact CD1-CD1 3.77Å; I437-I520 HydrophobicContact CD1-CG1 4.3Å
438	T	95.1	Very high	94.6	Very high	71 Å²	71	45.8 Å²	45.8	44%	0.436	24%	0.244	S	C	.	.			trans	-102	1	-176.3	53.4	0	0	0	0	113.3	G506 P515 P517	T438-G506 WeakPolarHBondContact O-CA 3.4Å; T438-G506 PolarHBondContact O-N 2.84Å; T438-P515 HydrophobicContact CG2-CB 4.08Å; T438-P515 HydrophobicContact CG2-CG 4.09Å; T438-P517 HydrophobicContact CG2-CB 4.33Å
439	N	93.5	Very high	94.9	Very high	80 Å²	80	44.7 Å²	44.7	43%	0.428	23%	0.232	S	C	.	.			trans	-109.9	115.9	177.5	-173.9	-38.6	0	0	0	110.3	L441 Q442 V443	N439-L441 VanDerWaalsContact C-N 3.27Å; N439-L441 PolarHBondContact O-N 3.22Å; N439-L441 WeakPolarHBondContact OD1-CB 3.43Å; N439-L441 PolarHBondContact OD1-N 3.19Å; N439-Q442 HydrophobicContact CB-CB 4.11Å; N439-Q442 WeakPolarHBondContact O-CB 3.47Å; N439-Q442 PolarHBondContact O-N 3.29Å; N439-Q442 PolarHBondContact OD1-N 2.93Å; N439-V443 PolarHBondContact O-N 3.42Å; N439-V443 VanDerWaalsContact O-N 3.11Å
440	I	94.6	Very high	94.8	Very high	42 Å²	42	45.3 Å²	45.3	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-32.7	-178.7	-170.2	62.5	0	0	0	113.4	Q442 V443 K444 I456 L503 V505	I440-Q442 VanDerWaalsContact C-N 3.3Å; I440-Q442 PolarHBondContact O-N 2.75Å; I440-V443 PolarHBondContact O-N 3.03Å; I440-K444 WeakPolarHBondContact O-CB 3.35Å; I440-K444 PolarHBondContact O-N 2.62Å; I440-I456 HydrophobicContact CD1-CD1 4.47Å; I440-I456 HydrophobicContact CD1-CG1 4.16Å; I440-I456 HydrophobicContact CD1-CG2 3.91Å; I440-I456 HydrophobicContact CG1-CD1 3.78Å; I440-I456 HydrophobicContact CG1-CG1 4.01Å; I440-I456 HydrophobicContact CG1-CG2 3.78Å; I440-L503 HydrophobicContact CD1-CB 3.88Å; I440-L503 HydrophobicContact CD1-CD1 4.22Å; I440-V505 HydrophobicContact CB-CB 4.16Å; I440-V505 HydrophobicContact CB-CG1 4.45Å; I440-V505 HydrophobicContact CD1-CB 3.86Å; I440-V505 HydrophobicContact CD1-CG2 3.7Å
441	L	94.1	Very high	94.8	Very high	118 Å²	118	50.6 Å²	50.6	62%	0.618	26%	0.262	S	S	*	.	H	α-helix	trans	-69.1	-33.1	176.9	-59.3	-179.9	0	0	0	111.2	N439 Q445	N439-L441 VanDerWaalsContact C-N 3.27Å; N439-L441 PolarHBondContact O-N 3.22Å; N439-L441 WeakPolarHBondContact OD1-CB 3.43Å; N439-L441 PolarHBondContact OD1-N 3.19Å; L441-Q445 VanDerWaalsContact O-CB 3.32Å; L441-Q445 WeakPolarHBondContact O-CB 3.39Å; L441-Q445 PolarHBondContact O-N 3.29Å
442	Q	93.8	Very high	94.8	Very high	44 Å²	44	50.3 Å²	50.3	21%	0.206	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-42.8	173.5	-173.4	177.1	25.7	0	0	110.9	I403 R411 I437 N439 I440 K444 Q445 I446	I403-Q442 PolarHBondContact O-NE2 3.41Å; R411-Q442 VanDerWaalsContact NH1-OE1 3.16Å; I437-Q442 HydrophobicContact CG2-CB 4.01Å; I437-Q442 HydrophobicContact CG2-CG 4.03Å; N439-Q442 HydrophobicContact CB-CB 4.11Å; N439-Q442 WeakPolarHBondContact O-CB 3.47Å; N439-Q442 PolarHBondContact O-N 3.29Å; N439-Q442 PolarHBondContact OD1-N 2.93Å; I440-Q442 VanDerWaalsContact C-N 3.3Å; I440-Q442 PolarHBondContact O-N 2.75Å; Q442-K444 VanDerWaalsContact C-N 3.31Å; Q442-K444 PolarHBondContact O-N 2.94Å; Q442-Q445 PolarHBondContact O-N 3.37Å; Q442-I446 HydrophobicContact CG-CD1 3.82Å; Q442-I446 HydrophobicContact CG-CG1 4.47Å; Q442-I446 WeakPolarHBondContact O-CD1 3.44Å; Q442-I446 VanDerWaalsContact O-CG1 3.22Å; Q442-I446 WeakPolarHBondContact O-CG1 3.47Å; Q442-I446 PolarHBondContact O-N 3.49Å
443	V	96.1	Very high	94.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-47.9	174.2	177.4	0	0	0	0	110.3	I437 N439 I440 Q445 I446 L447 L454 V505 F518	I437-V443 HydrophobicContact CB-CG2 4.1Å; I437-V443 HydrophobicContact CG2-CG2 3.54Å; N439-V443 PolarHBondContact O-N 3.42Å; N439-V443 VanDerWaalsContact O-N 3.11Å; I440-V443 PolarHBondContact O-N 3.03Å; V443-Q445 PolarHBondContact O-N 3.32Å; V443-I446 PolarHBondContact O-N 2.85Å; V443-L447 HydrophobicContact CG1-CD1 3.88Å; V443-L447 PolarHBondContact O-N 3.11Å; V443-L454 HydrophobicContact CG1-CD2 3.94Å; V443-V505 HydrophobicContact CG2-CG1 3.99Å; V443-V505 HydrophobicContact CG2-CG2 4.33Å; V443-F518 HydrophobicContact CG1-CD1 4.23Å; V443-F518 HydrophobicContact CG1-CD2 3.81Å; V443-F518 HydrophobicContact CG1-CE1 4.36Å; V443-F518 HydrophobicContact CG1-CE2 3.96Å; V443-F518 HydrophobicContact CG1-CG 3.95Å; V443-F518 HydrophobicContact CG1-CZ 4.24Å; V443-F518 HydrophobicContact CG2-CB 3.61Å; V443-F518 HydrophobicContact CG2-CD1 4.24Å; V443-F518 HydrophobicContact CG2-CD2 4.35Å; V443-F518 HydrophobicContact CG2-CG 3.83Å
444	K	95.6	Very high	94.8	Very high	68 Å²	68	48.2 Å²	48.2	30%	0.296	25%	0.254	S	S	.	.	H	α-helix	trans	-57.3	-49.1	175.5	-180	162.2	-175.4	135	0	112.1	I440 Q442 I446 L447 D448 L454 I456	I440-K444 WeakPolarHBondContact O-CB 3.35Å; I440-K444 PolarHBondContact O-N 2.62Å; Q442-K444 VanDerWaalsContact C-N 3.31Å; Q442-K444 PolarHBondContact O-N 2.94Å; K444-I446 VanDerWaalsContact C-N 3.26Å; K444-I446 PolarHBondContact O-N 3.37Å; K444-L447 PolarHBondContact O-N 3Å; K444-D448 WeakPolarHBondContact CE-OD2 3.38Å; K444-D448 VanDerWaalsContact CG-CG 3.47Å; K444-D448 WeakPolarHBondContact CG-OD1 3.5Å; K444-D448 WeakPolarHBondContact CG-OD2 3.36Å; K444-D448 WeakPolarHBondContact O-CA 3.28Å; K444-D448 WeakPolarHBondContact O-CB 3.37Å; K444-D448 PolarHBondContact O-N 3.39Å; K444-L454 HydrophobicContact CB-CD2 4.33Å; K444-L454 PolarHBondContact NZ-O 2.83Å; K444-L454 VanDerWaalsContact NZ-O 3.13Å; K444-I456 HydrophobicContact CB-CD1 4.31Å; K444-I456 HydrophobicContact CD-CD1 3.77Å; K444-I456 HydrophobicContact CD-CG1 4.36Å
445	Q	94.3	Very high	94.7	Very high	83 Å²	83	51.6 Å²	51.6	39%	0.388	27%	0.269	S	S	.	.	H	α-helix	trans	-60.8	-34	177.8	-176	-170.7	-30.7	0	0	113.5	L441 Q442 V443	L441-Q445 VanDerWaalsContact O-CB 3.32Å; L441-Q445 WeakPolarHBondContact O-CB 3.39Å; L441-Q445 PolarHBondContact O-N 3.29Å; Q442-Q445 PolarHBondContact O-N 3.37Å; V443-Q445 PolarHBondContact O-N 3.32Å
446	I	96.2	Very high	94.6	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-71.4	-47.3	179.4	-70.3	160.5	0	0	0	110.6	L399 R402 I403 I437 Q442 V443 K444 I520	L399-I446 HydrophobicContact CD1-CG2 3.74Å; R402-I446 HydrophobicContact CB-CG1 4.46Å; R402-I446 HydrophobicContact CB-CG2 4.41Å; R402-I446 WeakPolarHBondContact CD-O 3.46Å; R402-I446 PolarHBondContact NH1-O 3.13Å; I403-I446 HydrophobicContact CB-CD1 4.37Å; I403-I446 HydrophobicContact CG1-CD1 3.93Å; I403-I446 HydrophobicContact CG1-CG1 4.3Å; I403-I446 HydrophobicContact CG1-CG2 4.25Å; I437-I446 HydrophobicContact CD1-CD1 3.45Å; I437-I446 VanDerWaalsContact CD1-CD1 3.45Å; Q442-I446 HydrophobicContact CG-CD1 3.82Å; Q442-I446 HydrophobicContact CG-CG1 4.47Å; Q442-I446 WeakPolarHBondContact O-CD1 3.44Å; Q442-I446 VanDerWaalsContact O-CG1 3.22Å; Q442-I446 WeakPolarHBondContact O-CG1 3.47Å; Q442-I446 PolarHBondContact O-N 3.49Å; V443-I446 PolarHBondContact O-N 2.85Å; K444-I446 VanDerWaalsContact C-N 3.26Å; K444-I446 PolarHBondContact O-N 3.37Å; I446-I520 HydrophobicContact CG2-CD1 4.38Å
447	L	97.3	Very high	94.4	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-93.4	-17.2	-170.7	-61	173.3	0	0	0	113.9	L365 T369 I372 V443 K444 T449 L454 F518	L365-L447 HydrophobicContact CD1-CD2 3.95Å; T369-L447 PolarHBondContact OG1-O 3.45Å; I372-L447 HydrophobicContact CD1-CD1 3.59Å; V443-L447 HydrophobicContact CG1-CD1 3.88Å; V443-L447 PolarHBondContact O-N 3.11Å; K444-L447 PolarHBondContact O-N 3Å; L447-T449 PolarHBondContact O-N 2.98Å; L447-L454 HydrophobicContact CB-CD2 4.27Å; L447-L454 HydrophobicContact CD1-CD1 4.38Å; L447-L454 HydrophobicContact CD1-CD2 4.18Å; L447-F518 HydrophobicContact CD1-CE1 4.15Å; L447-F518 HydrophobicContact CD1-CE2 4.27Å; L447-F518 HydrophobicContact CD1-CZ 3.62Å
448	D	95.3	Very high	94.3	Very high	50 Å²	50	55.1 Å²	55.1	27%	0.267	29%	0.291	S	S	.	.			trans	-58.1	127.3	-179.2	-91.9	-7.4	0	0	0	111.6	R402 K444 L454	R402-D448 PolarHBondContact NH1-O 3.32Å; K444-D448 WeakPolarHBondContact CE-OD2 3.38Å; K444-D448 VanDerWaalsContact CG-CG 3.47Å; K444-D448 WeakPolarHBondContact CG-OD1 3.5Å; K444-D448 WeakPolarHBondContact CG-OD2 3.36Å; K444-D448 WeakPolarHBondContact O-CA 3.28Å; K444-D448 WeakPolarHBondContact O-CB 3.37Å; K444-D448 PolarHBondContact O-N 3.39Å; D448-L454 WeakPolarHBondContact OD1-CA 3.32Å; D448-L454 VanDerWaalsContact OD1-CB 3.31Å; D448-L454 WeakPolarHBondContact OD1-CB 3.4Å; D448-L454 PolarHBondContact OD1-N 3.05Å
449	T	93.7	Very high	94.1	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.049	28%	0.281	C	S	.	.			trans	-122.8	155	168.3	68.8	0	0	0	0	110.3	L365 A366 L447 E451 M452 P453	L365-T449 HydrophobicContact CB-CG2 3.9Å; L365-T449 HydrophobicContact CD2-CG2 3.9Å; L365-T449 HydrophobicContact CG-CG2 3.81Å; A366-T449 HydrophobicContact CB-CG2 4.3Å; L447-T449 PolarHBondContact O-N 2.98Å; T449-E451 VanDerWaalsContact C-N 3.27Å; T449-E451 PolarHBondContact O-N 2.93Å; T449-M452 PolarHBondContact N-O 2.83Å; T449-M452 CarbonylContact O-C 3.59Å; T449-M452 VanDerWaalsContact OG1-C 3.25Å; T449-M452 WeakPolarHBondContact OG1-CA 3.4Å; T449-M452 PolarHBondContact OG1-N 3.14Å; T449-M452 PolarHBondContact OG1-O 2.89Å; T449-P453 WeakPolarHBondContact O-CA 3.5Å
450	P	89	Confident	94	Very high	111 Å²	111	49.8 Å²	49.8	72%	0.721	26%	0.262	S	S	*	.	S	Bend	trans	-62.3	-34.5	177.3	-23.2	34.2	0	0	0	113.4
451	E	90.8	Very high	93.7	Very high	144 Å²	144	51.2 Å²	51.2	67%	0.673	27%	0.269	S	S	*	.	S	Bend	trans	-82	-40.5	-178.5	-63.3	-177.3	178	0	0	111.7	T449	T449-E451 VanDerWaalsContact C-N 3.27Å; T449-E451 PolarHBondContact O-N 2.93Å
452	M	93.9	Very high	93.5	Very high	54 Å²	54	49.8 Å²	49.8	27%	0.266	26%	0.259	S	S	.	.	S	Bend	trans	-130	85.9	179.1	-164.9	63.3	63.4	0	0	110.2	A366 T369 E370 T449	A366-M452 HydrophobicContact CB-CB 3.8Å; T369-M452 HydrophobicContact CG2-CG 3.93Å; E370-M452 HydrophobicContact CB-CE 4.24Å; E370-M452 HydrophobicContact CB-CG 4.22Å; E370-M452 HydrophobicContact CG-CE 4.34Å; T449-M452 PolarHBondContact N-O 2.83Å; T449-M452 CarbonylContact O-C 3.59Å; T449-M452 VanDerWaalsContact OG1-C 3.25Å; T449-M452 WeakPolarHBondContact OG1-CA 3.4Å; T449-M452 PolarHBondContact OG1-N 3.14Å; T449-M452 PolarHBondContact OG1-O 2.89Å
453	P	95.1	Very high	93.1	Very high	65 Å²	65	49.8 Å²	49.8	42%	0.422	26%	0.261	S	S	.	.			trans	-70.7	144.8	176.6	28.6	-34	0	0	0	110.8	H373 T449 E455	H373-P453 PolarHBondContact CE1-O 2.97Å; H373-P453 VanDerWaalsContact CE1-O 3.27Å; T449-P453 WeakPolarHBondContact O-CA 3.5Å; P453-E455 PolarHBondContact O-N 3.06Å
454	L	96.9	Very high	92.5	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.308	C	S	.	.			trans	-71.6	106.5	178.2	-173.6	73.7	0	0	0	110.5	T369 I372 V443 K444 L447 D448 I456 L503	T369-L454 HydrophobicContact CG2-CB 4.19Å; T369-L454 HydrophobicContact CG2-CD1 3.87Å; I372-L454 HydrophobicContact CG2-CD1 4.27Å; V443-L454 HydrophobicContact CG1-CD2 3.94Å; K444-L454 HydrophobicContact CB-CD2 4.33Å; K444-L454 PolarHBondContact NZ-O 2.83Å; K444-L454 VanDerWaalsContact NZ-O 3.13Å; L447-L454 HydrophobicContact CB-CD2 4.27Å; L447-L454 HydrophobicContact CD1-CD1 4.38Å; L447-L454 HydrophobicContact CD1-CD2 4.18Å; D448-L454 WeakPolarHBondContact OD1-CA 3.32Å; D448-L454 VanDerWaalsContact OD1-CB 3.31Å; D448-L454 WeakPolarHBondContact OD1-CB 3.4Å; D448-L454 PolarHBondContact OD1-N 3.05Å; L454-I456 PolarHBondContact O-N 3.42Å; L454-L503 HydrophobicContact CD1-CD1 4.32Å; L454-L503 HydrophobicContact CD2-CD1 3.99Å; L454-L503 HydrophobicContact CG-CD1 4.39Å
455	E	94.6	Very high	92.1	Very high	76 Å²	76	64.6 Å²	64.6	36%	0.355	32%	0.323	S	S	.	.			trans	-71.9	104.8	163.3	-59	178.9	166.9	0	0	110.5	H373 P453 T457 R458	H373-E455 WeakPolarHBondContact NE2-CB 3.42Å; H373-E455 PolarHBondContact NE2-N 3.26Å; P453-E455 PolarHBondContact O-N 3.06Å; E455-T457 PolarHBondContact O-N 3.37Å; E455-R458 HydrophobicContact CB-CG 4.12Å; E455-R458 WeakPolarHBondContact OE2-CG 3.25Å; E455-R458 IonicContact OE2-CZ 3.6Å; E455-R458 IonicContact OE2-NH1 2.67Å; E455-R458 PolarHBondContact OE2-NH1 3.22Å
456	I	94.9	Very high	91.5	Very high	43 Å²	43	62.3 Å²	62.3	22%	0.221	32%	0.322	C	S	.	.	S	Bend	trans	-67.8	-25.4	175.2	-62.4	163.5	0	0	0	111	I440 K444 L454 F502 L503	I440-I456 HydrophobicContact CD1-CD1 4.47Å; I440-I456 HydrophobicContact CD1-CG1 4.16Å; I440-I456 HydrophobicContact CD1-CG2 3.91Å; I440-I456 HydrophobicContact CG1-CD1 3.78Å; I440-I456 HydrophobicContact CG1-CG1 4.01Å; I440-I456 HydrophobicContact CG1-CG2 3.78Å; K444-I456 HydrophobicContact CB-CD1 4.31Å; K444-I456 HydrophobicContact CD-CD1 3.77Å; K444-I456 HydrophobicContact CD-CG1 4.36Å; L454-I456 PolarHBondContact O-N 3.42Å; I456-F502 CarbonylContact O-C 3.58Å; I456-F502 WeakPolarHBondContact O-CA 3.37Å; I456-L503 HydrophobicContact CG2-CB 4.41Å; I456-L503 PolarHBondContact O-N 3.48Å
457	T	93.6	Very high	91.1	Very high	69 Å²	69	64.8 Å²	64.8	42%	0.423	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.5	179.8	-54.9	0	0	0	0	109.6	E455 K500 T501	E455-T457 PolarHBondContact O-N 3.37Å; T457-K500 HydrophobicContact CG2-CB 4.03Å; T457-K500 HydrophobicContact CG2-CD 4.2Å; T457-K500 HydrophobicContact CG2-CG 4.39Å; T457-T501 CarbonylContact C-O 3.58Å; T457-T501 WeakPolarHBondContact CA-O 3.18Å; T457-T501 WeakPolarHBondContact CG2-O 3.44Å
458	R	92.2	Very high	90.7	Very high	29 Å²	29	66.7 Å²	66.7	11%	0.109	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142.4	177.2	-66.2	177.2	64.6	96.8	-20.8	109.7	H373 E455 F460 L470 K500 T501	H373-R458 VanDerWaalsContact CB-NH1 3.26Å; H373-R458 PolarHBondContact ND1-NH1 3.27Å; H373-R458 PolarHBondContact O-NE 3.06Å; E455-R458 HydrophobicContact CB-CG 4.12Å; E455-R458 WeakPolarHBondContact OE2-CG 3.25Å; E455-R458 IonicContact OE2-CZ 3.6Å; E455-R458 IonicContact OE2-NH1 2.67Å; E455-R458 PolarHBondContact OE2-NH1 3.22Å; R458-F460 HydrophobicContact CB-CE2 3.72Å; R458-F460 HydrophobicContact CB-CZ 4.17Å; R458-L470 HydrophobicContact CB-CD1 4.24Å; R458-K500 CarbonylContact O-C 3.51Å; R458-K500 WeakPolarHBondContact O-CA 3.07Å; R458-K500 WeakPolarHBondContact O-CB 3.45Å; R458-T501 PolarHBondContact N-O 2.86Å; R458-T501 PolarHBondContact O-N 2.91Å
459	S	91	Very high	90.3	Very high	32 Å²	32	69.8 Å²	69.8	22%	0.224	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	146.3	-178	-52.8	0	0	0	0	110.6	F471 L499	S459-F471 PolarHBondContact O-N 2.88Å; S459-L499 CarbonylContact C-O 3.54Å; S459-L499 WeakPolarHBondContact CA-O 3.38Å
460	F	91.4	Very high	90.1	Very high	6 Å²	6	72.5 Å²	72.5	3%	0.026	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	154	-176.4	-63.5	-95.8	0	0	0	110.7	M376 H377 Y378 R458 E469 L470 L499 T501	M376-F460 WeakPolarHBondContact O-CZ 3.43Å; H377-F460 AromaticContact CD2-CE1 3.65Å; Y378-F460 HydrophobicContact CD2-CD2 4.32Å; Y378-F460 HydrophobicContact CG-CB 4.49Å; Y378-F460 HydrophobicContact CG-CD2 4.44Å; R458-F460 HydrophobicContact CB-CE2 3.72Å; R458-F460 HydrophobicContact CB-CZ 4.17Å; F460-E469 CarbonylContact C-O 3.54Å; F460-E469 WeakPolarHBondContact CA-O 3.46Å; F460-L470 HydrophobicContact CE1-CB 4.46Å; F460-L470 HydrophobicContact CE1-CD1 4.12Å; F460-L470 HydrophobicContact CZ-CD1 4.09Å; F460-L499 HydrophobicContact CB-CB 4.25Å; F460-L499 PolarHBondContact N-O 3.05Å; F460-T501 HydrophobicContact CD2-CG2 4.3Å; F460-T501 HydrophobicContact CE2-CG2 3.79Å; F460-T501 WeakPolarHBondContact CE2-OG1 3.48Å
461	I	88.8	Confident	89.9	Confident	73 Å²	73	71 Å²	71	37%	0.374	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	137.4	166.5	-69.8	160.7	0	0	0	107.4	Y468 E469 F471	I461-Y468 WeakPolarHBondContact O-CA 3.46Å; I461-E469 PolarHBondContact N-O 3.49Å; I461-E469 PolarHBondContact O-N 2.93Å; I461-F471 HydrophobicContact CD1-CB 3.86Å; I461-F471 HydrophobicContact CD1-CD2 3.27Å; I461-F471 HydrophobicContact CD1-CE2 3.95Å; I461-F471 HydrophobicContact CD1-CG 3.72Å; I461-F471 HydrophobicContact CG1-CB 3.87Å; I461-F471 HydrophobicContact CG1-CD2 4.14Å; I461-F471 HydrophobicContact CG1-CG 4.08Å
462	Q	88.4	Confident	89.3	Confident	88 Å²	88	71.4 Å²	71.4	41%	0.411	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.6	169	-174	175.4	24.6	0	0	108.9	T467 Y468 L499	Q462-T467 WeakPolarHBondContact CA-O 3.29Å; Q462-Y468 HydrophobicContact CB-CD1 3.9Å; Q462-Y468 HydrophobicContact CB-CE1 3.75Å; Q462-Y468 HydrophobicContact CG-CD1 4.18Å; Q462-Y468 HydrophobicContact CG-CE1 3.76Å; Q462-Y468 PolarHBondContact NE2-OH 2.94Å; Q462-L499 HydrophobicContact CB-CD1 3.63Å
463	N	86	Confident	87.7	Confident	44 Å²	44	73.2 Å²	73.2	24%	0.235	37%	0.37	C	S	.	.			trans	-77.4	166.7	176.2	-73.3	-28.6	0	0	0	111.5	D465 G466 T467 E469	N463-D465 WeakPolarHBondContact CB-OD1 3.42Å; N463-D465 PolarHBondContact O-N 3.31Å; N463-G466 PolarHBondContact O-N 2.73Å; N463-T467 WeakPolarHBondContact CB-OG1 3.39Å; N463-T467 PolarHBondContact N-O 3.26Å; N463-T467 PolarHBondContact ND2-OG1 2.82Å; N463-E469 VanDerWaalsContact ND2-CG 3.32Å; N463-E469 WeakPolarHBondContact ND2-CG 3.49Å; N463-E469 PolarHBondContact ND2-OE1 2.86Å
464	R	84.1	Confident	85.9	Confident	265 Å²	265	74.9 Å²	74.9	100%	1	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.7	178.7	-65.1	-176.4	-179.6	-176.1	0.2	113.3	G466	R464-G466 PolarHBondContact O-N 2.76Å
465	D	86.1	Confident	83.4	Confident	114 Å²	114	84.3 Å²	84.3	61%	0.61	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	1	175.9	65.1	-6.4	0	0	0	113	N463 T467	N463-D465 WeakPolarHBondContact CB-OD1 3.42Å; N463-D465 PolarHBondContact O-N 3.31Å; D465-T467 VanDerWaalsContact C-N 3.28Å; D465-T467 VanDerWaalsContact CG-OG1 3.25Å; D465-T467 PolarHBondContact O-N 2.82Å; D465-T467 WeakPolarHBondContact OD1-CB 3.43Å; D465-T467 PolarHBondContact OD1-N 3.18Å; D465-T467 PolarHBondContact OD1-OG1 3.11Å; D465-T467 WeakPolarHBondContact OD2-CG2 3.35Å; D465-T467 PolarHBondContact OD2-OG1 3.1Å
466	G	82.6	Confident	80.9	Confident	34 Å²	34	86 Å²	86	35%	0.351	44%	0.437	S	S	.	.	S	Bend	trans	81.9	-0.4	-178.1	0	0	0	0	0	114.5	N463 R464	N463-G466 PolarHBondContact O-N 2.73Å; R464-G466 PolarHBondContact O-N 2.76Å
467	T	87.1	Confident	78.1	Confident	54 Å²	54	92.1 Å²	92.1	33%	0.331	46%	0.464	S	S	.	.			trans	-74.1	160.2	172.9	65.5	0	0	0	0	111	Q462 N463 D465	Q462-T467 WeakPolarHBondContact CA-O 3.29Å; N463-T467 WeakPolarHBondContact CB-OG1 3.39Å; N463-T467 PolarHBondContact N-O 3.26Å; N463-T467 PolarHBondContact ND2-OG1 2.82Å; D465-T467 VanDerWaalsContact C-N 3.28Å; D465-T467 VanDerWaalsContact CG-OG1 3.25Å; D465-T467 PolarHBondContact O-N 2.82Å; D465-T467 WeakPolarHBondContact OD1-CB 3.43Å; D465-T467 PolarHBondContact OD1-N 3.18Å; D465-T467 PolarHBondContact OD1-OG1 3.11Å; D465-T467 WeakPolarHBondContact OD2-CG2 3.35Å; D465-T467 PolarHBondContact OD2-OG1 3.1Å
468	Y	88.6	Confident	75.5	Confident	40 Å²	40	94.7 Å²	94.7	16%	0.157	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.4	178.3	-59.7	-90.2	0	0	0	109.8	H377 Y378 Q379 I461 Q462 L499	H377-Y468 PolarHBondContact NE2-O 3.45Å; Y378-Y468 AromaticContact CD1-CD1 3.59Å; Y378-Y468 HydrophobicContact CD1-CD1 3.59Å; Y378-Y468 AromaticContact CD1-CE1 3.36Å; Y378-Y468 HydrophobicContact CD1-CE1 3.36Å; Y378-Y468 HydrophobicContact CD1-CE2 4.5Å; Y378-Y468 HydrophobicContact CD1-CG 4.25Å; Y378-Y468 AromaticContact CD1-CZ 3.86Å; Y378-Y468 HydrophobicContact CE1-CD1 4.38Å; Y378-Y468 AromaticContact CE1-CE1 3.78Å; Y378-Y468 HydrophobicContact CE1-CE1 3.78Å; Y378-Y468 HydrophobicContact CG-CD1 4.22Å; Y378-Y468 HydrophobicContact CG-CE1 4.4Å; Q379-Y468 HydrophobicContact CB-CD2 3.76Å; Q379-Y468 HydrophobicContact CB-CE2 4.17Å; Q379-Y468 HydrophobicContact CG-CD2 4.13Å; Q379-Y468 HydrophobicContact CG-CE2 4.25Å; I461-Y468 WeakPolarHBondContact O-CA 3.46Å; Q462-Y468 HydrophobicContact CB-CD1 3.9Å; Q462-Y468 HydrophobicContact CB-CE1 3.75Å; Q462-Y468 HydrophobicContact CG-CD1 4.18Å; Q462-Y468 HydrophobicContact CG-CE1 3.76Å; Q462-Y468 PolarHBondContact NE2-OH 2.94Å; Y468-L499 HydrophobicContact CD1-CD1 3.83Å; Y468-L499 HydrophobicContact CE1-CD1 3.68Å
469	E	87.5	Confident	72.9	Confident	116 Å²	116	100.9 Å²	100.9	54%	0.542	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.7	177.4	-73.7	-178.4	-161.8	0	0	110.8	F460 I461 N463 F471	F460-E469 CarbonylContact C-O 3.54Å; F460-E469 WeakPolarHBondContact CA-O 3.46Å; I461-E469 PolarHBondContact N-O 3.49Å; I461-E469 PolarHBondContact O-N 2.93Å; N463-E469 VanDerWaalsContact ND2-CG 3.32Å; N463-E469 WeakPolarHBondContact ND2-CG 3.49Å; N463-E469 PolarHBondContact ND2-OE1 2.86Å; E469-F471 PolarHBondContact O-N 2.84Å; E469-F471 VanDerWaalsContact O-N 3.17Å
470	L	88.9	Confident	70.4	Confident	64 Å²	64	104.6 Å²	104.6	34%	0.335	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	115.7	177.2	-177.6	73.5	0	0	0	110	R458 F460 K472	R458-L470 HydrophobicContact CB-CD1 4.24Å; F460-L470 HydrophobicContact CE1-CB 4.46Å; F460-L470 HydrophobicContact CE1-CD1 4.12Å; F460-L470 HydrophobicContact CZ-CD1 4.09Å; L470-K472 HydrophobicContact CD2-CG 4.25Å; L470-K472 HydrophobicContact CG-CG 4.42Å
471	F	84.8	Confident	68	Low	81 Å²	81	111 Å²	111	36%	0.355	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.3	110.6	173.1	-178.4	-115.1	0	0	0	110.4	S459 I461 E469 C473	S459-F471 PolarHBondContact O-N 2.88Å; I461-F471 HydrophobicContact CD1-CB 3.86Å; I461-F471 HydrophobicContact CD1-CD2 3.27Å; I461-F471 HydrophobicContact CD1-CE2 3.95Å; I461-F471 HydrophobicContact CD1-CG 3.72Å; I461-F471 HydrophobicContact CG1-CB 3.87Å; I461-F471 HydrophobicContact CG1-CD2 4.14Å; I461-F471 HydrophobicContact CG1-CG 4.08Å; E469-F471 PolarHBondContact O-N 2.84Å; E469-F471 VanDerWaalsContact O-N 3.17Å; F471-C473 HydrophobicContact CE1-CB 4.47Å; F471-C473 VanDerWaalsContact CE1-SG 3.51Å
472	K	79.4	Confident	65.7	Low	152 Å²	152	111.1 Å²	111.1	66%	0.661	58%	0.581	S	S	*	*			trans	-94.5	115.4	164.9	-65.1	-178.9	-179.8	176.5	0	106.9	L470 P474	L470-K472 HydrophobicContact CD2-CG 4.25Å; L470-K472 HydrophobicContact CG-CG 4.42Å; K472-P474 WeakPolarHBondContact O-CD 3.42Å; K472-P474 VanDerWaalsContact O-N 3.12Å
473	C	59	Low	63.5	Low	92 Å²	92	115.7 Å²	115.7	62%	0.622	60%	0.602	S	S	*	*			trans	-51.1	125.3	166.1	-78.8	0	0	0	0	107.3	F471 K475	F471-C473 HydrophobicContact CE1-CB 4.47Å; F471-C473 VanDerWaalsContact CE1-SG 3.51Å; C473-K475 PolarHBondContact O-N 3.31Å; C473-K475 VanDerWaalsContact O-N 3.11Å
474	P	58.4	Low	61.3	Low	99 Å²	99	118.8 Å²	118.8	64%	0.643	62%	0.623	S	S	*	*			trans	-49.7	127.3	168.3	-23.9	33.1	0	0	0	106.9	K472 V476	K472-P474 WeakPolarHBondContact O-CD 3.42Å; K472-P474 VanDerWaalsContact O-N 3.12Å; P474-V476 PolarHBondContact O-N 3.33Å
475	K	44.3	Very low	59.2	Low	199 Å²	199	114.9 Å²	114.9	87%	0.865	61%	0.61	S	S	*	*			trans	-59.1	103.8	164.7	-71.8	177	-177.1	172.2	0	103.5	C473 E477	C473-K475 PolarHBondContact O-N 3.31Å; C473-K475 VanDerWaalsContact O-N 3.11Å; K475-E477 PolarHBondContact O-N 3.15Å
476	V	41.6	Very low	57.1	Low	113 Å²	113	112.9 Å²	112.9	69%	0.685	62%	0.616	S	S	*	*			trans	-63.8	95.2	170.6	-177.7	0	0	0	0	104	P474 V478	P474-V476 PolarHBondContact O-N 3.33Å; V476-V478 HydrophobicContact CG1-CG2 3.9Å; V476-V478 PolarHBondContact O-N 3.42Å
477	E	35.7	Very low	55.4	Low	170 Å²	170	122 Å²	122	79%	0.794	64%	0.64	S	S	*	*			trans	-57.1	101.5	151.6	-70.4	-179.3	157.9	0	0	103.2	K475 E479	K475-E477 PolarHBondContact O-N 3.15Å; E477-E479 PolarHBondContact O-N 3.15Å
478	V	39.1	Very low	53.1	Low	123 Å²	123	125.6 Å²	125.6	75%	0.745	66%	0.655	S	S	*	*			trans	-71.4	78.3	174.3	-175	0	0	0	0	105.1	V476	V476-V478 HydrophobicContact CG1-CG2 3.9Å; V476-V478 PolarHBondContact O-N 3.42Å
479	E	37.4	Very low	51	Low	160 Å²	160	131 Å²	131	75%	0.748	68%	0.682	S	S	*	*			trans	-55	136.3	146.9	-72.9	-170.5	157	0	0	106.2	E477 I481	E477-E479 PolarHBondContact O-N 3.15Å; E479-I481 VanDerWaalsContact C-N 3.35Å; E479-I481 PolarHBondContact O-N 2.87Å
480	S	40.4	Very low	49.1	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	70%	0.695	S	S	*	*			trans	-60.2	92	-173.2	55.5	0	0	0	0	110.8	A482	S480-A482 PolarHBondContact O-N 2.86Å; S480-A482 VanDerWaalsContact O-N 3.08Å
481	I	40.6	Very low	46.8	Very low	141 Å²	141	139.1 Å²	139.1	72%	0.723	72%	0.715	S	S	*	*			trans	-83.7	60	161.5	-43.8	169.4	0	0	0	107.1	E479	E479-I481 VanDerWaalsContact C-N 3.35Å; E479-I481 PolarHBondContact O-N 2.87Å
482	A	39	Very low	44.7	Very low	76 Å²	76	140.8 Å²	140.8	63%	0.628	73%	0.734	S	S	*	*			trans	-90.9	132.6	151.5	0	0	0	0	0	105	S480	S480-A482 PolarHBondContact O-N 2.86Å; S480-A482 VanDerWaalsContact O-N 3.08Å
483	E	42.6	Very low	43	Very low	184 Å²	184	139.5 Å²	139.5	86%	0.86	74%	0.739	S	S	*	*	S	Bend	trans	85.3	86.8	-175.3	-50.6	173.4	-179.2	0	0	113.9
484	T	39.5	Very low	42.3	Very low	109 Å²	109	143 Å²	143	67%	0.669	75%	0.75	S	S	*	*	S	Bend		-174.2	-28.3	129.7	-69.9	0	0	0	0	113.3	G486	T484-G486 PolarHBondContact O-N 2.84Å
485	Y	40	Very low	41.9	Very low	183 Å²	183	148.4 Å²	148.4	72%	0.718	76%	0.758	S	S	*	*			trans	-99.9	63.9	-170.5	-66.2	-79.1	0	0	0	115.3	I488	Y485-I488 HydrophobicContact CD1-CD1 3.89Å; Y485-I488 HydrophobicContact CE1-CD1 3.91Å
486	G	42.3	Very low	42.4	Very low	71 Å²	71	143.9 Å²	143.9	73%	0.732	75%	0.749	S	S	*	*	S	Bend	trans	-80.4	117.8	145.4	0	0	0	0	0	108	T484	T484-G486 PolarHBondContact O-N 2.84Å
487	R	47.1	Very low	43.4	Very low	227 Å²	227	143.1 Å²	143.1	86%	0.857	74%	0.741	S	S	*	*			trans	83.9	95.3	174.2	-162	-165.8	-87.8	-143.9	-1.8	115.5
488	I	38.5	Very low	45.1	Very low	129 Å²	129	139.4 Å²	139.4	66%	0.662	72%	0.723	S	S	*	*			trans	-140.4	118	133.6	-83.7	133.5	0	0	0	107.7	Y485	Y485-I488 HydrophobicContact CD1-CD1 3.89Å; Y485-I488 HydrophobicContact CE1-CD1 3.91Å
489	E	44.2	Very low	47.5	Very low	153 Å²	153	133.8 Å²	133.8	72%	0.715	69%	0.689	S	S	*	*			trans	-82.9	132.9	179	-166	172.4	-176.8	0	0	109.1
490	K	48.8	Very low	50.1	Low	188 Å²	188	128.7 Å²	128.7	82%	0.817	66%	0.664	S	S	*	*			trans	44.2	72.3	160	-61.4	173.6	-176.3	165.9	0	116.8
491	Q	39.3	Very low	52.7	Low	163 Å²	163	123.5 Å²	123.5	76%	0.762	63%	0.628	S	S	*	*			trans	-110.8	129.9	150.2	-113.3	-179.9	4.6	0	0	108.4	V493	Q491-V493 PolarHBondContact O-N 2.91Å
492	P	41.4	Very low	55.2	Low	116 Å²	116	117.8 Å²	117.8	75%	0.753	60%	0.598	S	S	*	*			trans	-61.6	113.4	167.8	25.1	-29.1	0	0	0	107	L494	P492-L494 PolarHBondContact O-N 3.07Å
493	V	44	Very low	58	Low	125 Å²	125	114.4 Å²	114.4	76%	0.758	57%	0.569	S	S	*	*			trans	-57.6	107.4	172.5	-177.3	0	0	0	0	106	Q491 R495	Q491-V493 PolarHBondContact O-N 2.91Å; V493-R495 PolarHBondContact O-N 2.86Å
494	L	44.2	Very low	60.5	Low	165 Å²	165	108.1 Å²	108.1	86%	0.864	54%	0.539	S	S	*	.			trans	-58.8	92.4	169.9	-72.1	166.1	0	0	0	106.3	P492 P496	P492-L494 PolarHBondContact O-N 3.07Å; L494-P496 VanDerWaalsContact O-CD 3.24Å; L494-P496 WeakPolarHBondContact O-CD 3.39Å
495	R	49.9	Very low	63.1	Low	213 Å²	213	103.5 Å²	103.5	80%	0.804	51%	0.51	S	S	*	.			trans	-67.7	119.3	170.1	-71.8	-169.9	-156.4	167.3	7.7	106	V493 L497	V493-R495 PolarHBondContact O-N 2.86Å; R495-L497 PolarHBondContact O-N 2.92Å
496	P	54.4	Low	65.7	Low	103 Å²	103	95 Å²	95	67%	0.669	48%	0.479	S	S	*	.			trans	-53.5	142.6	169.9	-21.7	33.6	0	0	0	108.9	L494 E498	L494-P496 VanDerWaalsContact O-CD 3.24Å; L494-P496 WeakPolarHBondContact O-CD 3.39Å; P496-E498 PolarHBondContact O-N 3.35Å
497	L	63	Low	67.9	Low	98 Å²	98	96.8 Å²	96.8	51%	0.513	47%	0.472	S	S	.	.			trans	-51.2	110.6	173.3	-82.3	148.1	0	0	0	109	R495 L499	R495-L497 PolarHBondContact O-N 2.92Å; L497-L499 PolarHBondContact O-N 3.37Å
498	E	71.8	Confident	69.7	Low	91 Å²	91	88.6 Å²	88.6	43%	0.425	45%	0.447	S	S	.	.			trans	-83.6	99.7	-179.2	-72.1	-166.4	176.5	0	0	109	P496 K500 R545 N546	P496-E498 PolarHBondContact O-N 3.35Å; E498-K500 IonicContact OE1-NZ 3.86Å; E498-K500 IonicContact OE2-NZ 3.12Å; E498-K500 PolarHBondContact OE2-NZ 3.36Å; E498-R545 WeakPolarHBondContact O-CA 3.45Å; E498-N546 PolarHBondContact N-OD1 3.41Å; E498-N546 PolarHBondContact O-N 2.92Å
499	L	89.3	Confident	71.7	Confident	5 Å²	5	85.1 Å²	85.1	3%	0.026	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	119.2	171.7	-54.2	177.2	0	0	0	108.1	Y378 S459 F460 Q462 Y468 L497 R545	Y378-L499 HydrophobicContact CD1-CB 4.36Å; Y378-L499 HydrophobicContact CD1-CD1 4.4Å; Y378-L499 HydrophobicContact CD2-CB 3.83Å; Y378-L499 HydrophobicContact CE1-CB 4.16Å; Y378-L499 HydrophobicContact CE1-CD1 4.19Å; Y378-L499 HydrophobicContact CE1-CD2 3.96Å; Y378-L499 HydrophobicContact CE1-CG 4.34Å; Y378-L499 HydrophobicContact CE2-CB 3.6Å; Y378-L499 HydrophobicContact CE2-CD2 4.27Å; Y378-L499 HydrophobicContact CE2-CG 4.47Å; Y378-L499 HydrophobicContact CG-CB 4.22Å; Y378-L499 WeakPolarHBondContact OH-CD2 3.46Å; S459-L499 CarbonylContact C-O 3.54Å; S459-L499 WeakPolarHBondContact CA-O 3.38Å; F460-L499 HydrophobicContact CB-CB 4.25Å; F460-L499 PolarHBondContact N-O 3.05Å; Q462-L499 HydrophobicContact CB-CD1 3.63Å; Y468-L499 HydrophobicContact CD1-CD1 3.83Å; Y468-L499 HydrophobicContact CE1-CD1 3.68Å; L497-L499 PolarHBondContact O-N 3.37Å; L499-R545 HydrophobicContact CD2-CB 4.47Å; L499-R545 HydrophobicContact CD2-CG 3.95Å
500	K	91.4	Very high	73.2	Confident	54 Å²	54	83.9 Å²	83.9	24%	0.235	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142.6	-178.9	-64.8	170.5	176.9	161.5	0	111.1	T457 R458 E498 H543 H544	T457-K500 HydrophobicContact CG2-CB 4.03Å; T457-K500 HydrophobicContact CG2-CD 4.2Å; T457-K500 HydrophobicContact CG2-CG 4.39Å; R458-K500 CarbonylContact O-C 3.51Å; R458-K500 WeakPolarHBondContact O-CA 3.07Å; R458-K500 WeakPolarHBondContact O-CB 3.45Å; E498-K500 IonicContact OE1-NZ 3.86Å; E498-K500 IonicContact OE2-NZ 3.12Å; E498-K500 PolarHBondContact OE2-NZ 3.36Å; K500-H543 CarbonylContact O-C 3.49Å; K500-H543 WeakPolarHBondContact O-CA 3.39Å; K500-H544 HydrophobicContact CB-CB 4.22Å; K500-H544 PolarHBondContact N-O 3.42Å; K500-H544 PolarHBondContact O-N 3.3Å
501	T	94.7	Very high	74.8	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	149.7	163.7	63.2	0	0	0	0	109.9	M376 Y378 T457 R458 F460 Y541 G542	M376-T501 PolarHBondContact O-OG1 2.82Å; Y378-T501 HydrophobicContact CD2-CG2 3.93Å; Y378-T501 HydrophobicContact CG-CG2 4.4Å; T457-T501 CarbonylContact C-O 3.58Å; T457-T501 WeakPolarHBondContact CA-O 3.18Å; T457-T501 WeakPolarHBondContact CG2-O 3.44Å; R458-T501 PolarHBondContact N-O 2.86Å; R458-T501 PolarHBondContact O-N 2.91Å; F460-T501 HydrophobicContact CD2-CG2 4.3Å; F460-T501 HydrophobicContact CE2-CG2 3.79Å; F460-T501 WeakPolarHBondContact CE2-OG1 3.48Å; T501-Y541 HydrophobicContact CG2-CD2 4.03Å; T501-Y541 HydrophobicContact CG2-CE2 3.94Å; T501-G542 CarbonylContact C-O 3.6Å; T501-G542 WeakPolarHBondContact CA-O 3.42Å
502	F	94.7	Very high	77	Confident	21 Å²	21	76 Å²	76	9%	0.092	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.7	175.7	68	-85.8	0	0	0	112.4	I456 K504 Y541 G542 H544	I456-F502 CarbonylContact O-C 3.58Å; I456-F502 WeakPolarHBondContact O-CA 3.37Å; F502-K504 HydrophobicContact CD2-CG 4.45Å; F502-K504 HydrophobicContact CE2-CG 3.84Å; F502-K504 HydrophobicContact CZ-CG 4.4Å; F502-K504 PolarHBondContact O-N 2.7Å; F502-Y541 CarbonylContact O-C 3.49Å; F502-Y541 WeakPolarHBondContact O-CA 3.44Å; F502-Y541 WeakPolarHBondContact O-CB 3.46Å; F502-G542 WeakPolarHBondContact CD1-O 3.41Å; F502-G542 VanDerWaalsContact CE1-C 3.47Å; F502-G542 PolarHBondContact N-O 3.21Å; F502-G542 PolarHBondContact O-N 2.75Å; F502-H544 AromaticContact CD1-CE1 3.32Å; F502-H544 WeakPolarHBondContact CD1-CE1 3.44Å; F502-H544 AromaticContact CD1-CG 3.91Å; F502-H544 AromaticContact CD1-ND1 3.45Å; F502-H544 WeakPolarHBondContact CD1-ND1 3.44Å; F502-H544 AromaticContact CD1-NE2 3.72Å; F502-H544 AromaticContact CE1-CD2 3.6Å; F502-H544 AromaticContact CE1-CE1 3.39Å; F502-H544 WeakPolarHBondContact CE1-CE1 3.36Å; F502-H544 AromaticContact CE1-CG 3.9Å; F502-H544 AromaticContact CE1-ND1 3.79Å; F502-H544 AromaticContact CE1-NE2 3.27Å; F502-H544 VanDerWaalsContact CE1-NE2 3.27Å; F502-H544 WeakPolarHBondContact CE1-NE2 3.44Å; F502-H544 AromaticContact CG-CE1 3.93Å; F502-H544 AromaticContact CZ-NE2 3.79Å
503	L	96.3	Very high	79.1	Confident	5 Å²	5	80.3 Å²	80.3	3%	0.026	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	127.1	176	-77.4	172.6	0	0	0	111.2	M376 I440 L454 I456 V505 F539	M376-L503 HydrophobicContact CE-CB 4.49Å; M376-L503 HydrophobicContact CE-CD2 4.17Å; M376-L503 HydrophobicContact CE-CG 3.76Å; M376-L503 HydrophobicContact CG-CD2 4.3Å; M376-L503 HydrophobicContact SD-CD1 4.26Å; M376-L503 HydrophobicContact SD-CD2 3.58Å; M376-L503 VanDerWaalsContact SD-CD2 3.58Å; M376-L503 HydrophobicContact SD-CG 3.57Å; M376-L503 VanDerWaalsContact SD-CG 3.57Å; I440-L503 HydrophobicContact CD1-CB 3.88Å; I440-L503 HydrophobicContact CD1-CD1 4.22Å; L454-L503 HydrophobicContact CD1-CD1 4.32Å; L454-L503 HydrophobicContact CD2-CD1 3.99Å; L454-L503 HydrophobicContact CG-CD1 4.39Å; I456-L503 HydrophobicContact CG2-CB 4.41Å; I456-L503 PolarHBondContact O-N 3.48Å; L503-V505 HydrophobicContact CB-CG2 4.35Å; L503-V505 PolarHBondContact O-N 2.85Å; L503-F539 HydrophobicContact CD2-CD2 3.46Å; L503-F539 VanDerWaalsContact CD2-CD2 3.46Å; L503-F539 HydrophobicContact CD2-CE2 3.97Å; L503-F539 HydrophobicContact CD2-CG 4.22Å
504	K	94.9	Very high	81.2	Confident	52 Å²	52	82 Å²	82	23%	0.226	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	98.6	174.3	-76	174.8	174.4	155.3	0	109.8	F502 T508 T516 E540 Y541	F502-K504 HydrophobicContact CD2-CG 4.45Å; F502-K504 HydrophobicContact CE2-CG 3.84Å; F502-K504 HydrophobicContact CZ-CG 4.4Å; F502-K504 PolarHBondContact O-N 2.7Å; K504-T508 HydrophobicContact CB-CG2 4.41Å; K504-T516 HydrophobicContact CB-CG2 4.37Å; K504-T516 WeakPolarHBondContact O-CG2 3.31Å; K504-E540 HydrophobicContact CB-CB 4.26Å; K504-E540 HydrophobicContact CD-CB 4.44Å; K504-E540 PolarHBondContact N-O 3.48Å; K504-Y541 WeakPolarHBondContact CD-O 3.48Å; K504-Y541 WeakPolarHBondContact CE-O 3.5Å; K504-Y541 PolarHBondContact NZ-O 2.82Å; K504-Y541 VanDerWaalsContact NZ-O 3.1Å
505	V	95.9	Very high	83.5	Confident	11 Å²	11	76.8 Å²	76.8	7%	0.067	39%	0.393	C	S	.	.			trans	-135	126	178.5	-177.5	0	0	0	0	110	I437 I440 V443 L503 T516 F518	I437-V505 WeakPolarHBondContact O-CG1 3.31Å; I440-V505 HydrophobicContact CB-CB 4.16Å; I440-V505 HydrophobicContact CB-CG1 4.45Å; I440-V505 HydrophobicContact CD1-CB 3.86Å; I440-V505 HydrophobicContact CD1-CG2 3.7Å; V443-V505 HydrophobicContact CG2-CG1 3.99Å; V443-V505 HydrophobicContact CG2-CG2 4.33Å; L503-V505 HydrophobicContact CB-CG2 4.35Å; L503-V505 PolarHBondContact O-N 2.85Å; V505-T516 CarbonylContact C-O 3.54Å; V505-T516 WeakPolarHBondContact CA-O 3.47Å; V505-F518 HydrophobicContact CG1-CB 4.35Å; V505-F518 HydrophobicContact CG2-CB 4.01Å; V505-F518 HydrophobicContact CG2-CD2 4.4Å
506	G	92.9	Very high	85.6	Confident	5 Å²	5	67.8 Å²	67.8	5%	0.052	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	81.7	-147.5	-174.5	0	0	0	0	0	112.1	T438 Q512 T516	T438-G506 WeakPolarHBondContact O-CA 3.4Å; T438-G506 PolarHBondContact O-N 2.84Å; G506-Q512 PolarHBondContact O-NE2 3.12Å; G506-T516 PolarHBondContact N-O 2.88Å; G506-T516 PolarHBondContact O-N 2.84Å
507	N	89.9	Confident	87.6	Confident	109 Å²	109	64.6 Å²	64.6	58%	0.583	34%	0.341	S	S	*	.			trans	-88.2	106.9	175.6	-62.8	79.8	0	0	0	109	Q512	N507-Q512 PolarHBondContact ND2-O 3.41Å
508	T	85.1	Confident	89.3	Confident	54 Å²	54	60 Å²	60	33%	0.331	32%	0.317	S	S	.	.			trans	-105.4	-11.5	-177.9	58.3	0	0	0	0	113.8	K504 Q512	K504-T508 HydrophobicContact CB-CG2 4.41Å; T508-Q512 PolarHBondContact OG1-OE1 2.7Å
509	S	80.6	Confident	90.5	Very high	56 Å²	56	57.1 Å²	57.1	39%	0.392	30%	0.304	S	S	.	.	S	Bend	trans	-130.3	152	169.9	69.5	0	0	0	0	111.3	D511 Q512	S509-D511 VanDerWaalsContact C-N 3.26Å; S509-D511 PolarHBondContact O-N 2.79Å; S509-Q512 WeakPolarHBondContact O-CB 3.37Å; S509-Q512 PolarHBondContact O-N 2.94Å; S509-Q512 WeakPolarHBondContact OG-CB 3.17Å
510	P	75.3	Confident	90.9	Very high	127 Å²	127	56.9 Å²	56.9	83%	0.825	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.7	-179.8	25.7	-33.8	0	0	0	113.2	Q512	P510-Q512 VanDerWaalsContact C-N 3.32Å
511	D	81.6	Confident	91.2	Very high	145 Å²	145	54.8 Å²	54.8	78%	0.775	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.9	-178.3	-53.1	-56.3	0	0	0	113.4	S509 K513	S509-D511 VanDerWaalsContact C-N 3.26Å; S509-D511 PolarHBondContact O-N 2.79Å; D511-K513 PolarHBondContact O-N 2.86Å
512	Q	85.4	Confident	91.4	Very high	40 Å²	40	55 Å²	55	19%	0.187	29%	0.294	C	S	.	.			trans	-75.4	112.6	-176.2	-179.2	169	6.7	0	0	112.1	G506 N507 T508 S509 P510 E514 T516	G506-Q512 PolarHBondContact O-NE2 3.12Å; N507-Q512 PolarHBondContact ND2-O 3.41Å; T508-Q512 PolarHBondContact OG1-OE1 2.7Å; S509-Q512 WeakPolarHBondContact O-CB 3.37Å; S509-Q512 PolarHBondContact O-N 2.94Å; S509-Q512 WeakPolarHBondContact OG-CB 3.17Å; P510-Q512 VanDerWaalsContact C-N 3.32Å; Q512-E514 VanDerWaalsContact CD-O 3.32Å; Q512-E514 WeakPolarHBondContact CG-O 3.28Å; Q512-E514 PolarHBondContact NE2-O 3.48Å; Q512-T516 PolarHBondContact NE2-OG1 2.74Å
513	K	85.1	Confident	91.4	Very high	207 Å²	207	54 Å²	54	90%	0.9	29%	0.29	S	S	*	.	S	Bend	trans	-71.2	-41.7	177.8	-67.4	-178.1	-179.1	176.5	0	113.6	D511	D511-K513 PolarHBondContact O-N 2.86Å
514	E	88.8	Confident	91.4	Very high	160 Å²	160	55 Å²	55	75%	0.748	30%	0.296	S	S	*	.	S	Bend	trans	-119.6	134.6	-178	-66.7	-174.2	178.7	0	0	111	Q512	Q512-E514 VanDerWaalsContact CD-O 3.32Å; Q512-E514 WeakPolarHBondContact CG-O 3.28Å; Q512-E514 PolarHBondContact NE2-O 3.48Å
515	P	92.4	Very high	91	Very high	57 Å²	57	56.2 Å²	56.2	37%	0.37	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-68.4	137.4	-178.3	28.2	-34.1	0	0	0	111.8	T438 P517	T438-P515 HydrophobicContact CG2-CB 4.08Å; T438-P515 HydrophobicContact CG2-CG 4.09Å; P515-P517 VanDerWaalsContact O-CD 3.28Å; P515-P517 WeakPolarHBondContact O-CD 3.06Å
516	T	94.9	Very high	90.8	Very high	23 Å²	23	56.1 Å²	56.1	14%	0.141	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-74.8	117.2	175.9	-53.8	0	0	0	0	109.5	K504 V505 G506 Q512 E540	K504-T516 HydrophobicContact CB-CG2 4.37Å; K504-T516 WeakPolarHBondContact O-CG2 3.31Å; V505-T516 CarbonylContact C-O 3.54Å; V505-T516 WeakPolarHBondContact CA-O 3.47Å; G506-T516 PolarHBondContact N-O 2.88Å; G506-T516 PolarHBondContact O-N 2.84Å; Q512-T516 PolarHBondContact NE2-OG1 2.74Å; T516-E540 HydrophobicContact CG2-CB 4.3Å; T516-E540 HydrophobicContact CG2-CG 4.45Å
517	P	96.4	Very high	90.8	Very high	37 Å²	37	60 Å²	60	24%	0.24	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-86.6	143.3	-179.9	33.7	-32	0	0	0	111.6	H436 T438 P515 I519	H436-P517 HydrophobicContact CB-CB 3.98Å; T438-P517 HydrophobicContact CG2-CB 4.33Å; P515-P517 VanDerWaalsContact O-CD 3.28Å; P515-P517 WeakPolarHBondContact O-CD 3.06Å; P517-I519 HydrophobicContact CB-CG1 4.14Å; P517-I519 HydrophobicContact CG-CD1 4.11Å; P517-I519 HydrophobicContact CG-CG1 3.95Å
518	F	97.6	Very high	90.8	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.5	155.8	-170.7	-81.9	0	0	0	108.1	I372 I437 V443 L447 V505 I520 I537 F539	I372-F518 HydrophobicContact CD1-CZ 4.21Å; I437-F518 HydrophobicContact CB-CB 4.31Å; I437-F518 WeakPolarHBondContact CB-O 3.48Å; I437-F518 PolarHBondContact N-O 2.79Å; I437-F518 PolarHBondContact O-N 2.77Å; V443-F518 HydrophobicContact CG1-CD1 4.23Å; V443-F518 HydrophobicContact CG1-CD2 3.81Å; V443-F518 HydrophobicContact CG1-CE1 4.36Å; V443-F518 HydrophobicContact CG1-CE2 3.96Å; V443-F518 HydrophobicContact CG1-CG 3.95Å; V443-F518 HydrophobicContact CG1-CZ 4.24Å; V443-F518 HydrophobicContact CG2-CB 3.61Å; V443-F518 HydrophobicContact CG2-CD1 4.24Å; V443-F518 HydrophobicContact CG2-CD2 4.35Å; V443-F518 HydrophobicContact CG2-CG 3.83Å; L447-F518 HydrophobicContact CD1-CE1 4.15Å; L447-F518 HydrophobicContact CD1-CE2 4.27Å; L447-F518 HydrophobicContact CD1-CZ 3.62Å; V505-F518 HydrophobicContact CG1-CB 4.35Å; V505-F518 HydrophobicContact CG2-CB 4.01Å; V505-F518 HydrophobicContact CG2-CD2 4.4Å; F518-I520 HydrophobicContact CD1-CG1 4.15Å; F518-I520 HydrophobicContact CE1-CD1 4.3Å; F518-I520 HydrophobicContact CE1-CG1 3.93Å; F518-I537 HydrophobicContact CE1-CG2 3.65Å; F518-I537 HydrophobicContact CE2-CG2 4.16Å; F518-I537 HydrophobicContact CZ-CG2 3.29Å; F518-F539 HydrophobicContact CD2-CB 3.47Å; F518-F539 VanDerWaalsContact CD2-CB 3.47Å; F518-F539 HydrophobicContact CD2-CG 4.35Å; F518-F539 HydrophobicContact CE2-CB 3.55Å; F518-F539 HydrophobicContact CE2-CD1 4.13Å; F518-F539 AromaticContact CE2-CG 3.95Å; F518-F539 HydrophobicContact CE2-CG 3.95Å; F518-F539 HydrophobicContact CG-CB 4.42Å
519	I	98	Very high	91.1	Very high	30 Å²	30	66 Å²	66	15%	0.154	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	129.4	-169.9	-50.3	177.2	0	0	0	110.1	T434 W435 P517 E521 I537 K538	T434-I519 HydrophobicContact CG2-CG2 3.56Å; W435-I519 WeakPolarHBondContact O-CA 3.45Å; P517-I519 HydrophobicContact CB-CG1 4.14Å; P517-I519 HydrophobicContact CG-CD1 4.11Å; P517-I519 HydrophobicContact CG-CG1 3.95Å; I519-E521 HydrophobicContact CG2-CG 3.95Å; I519-I537 WeakPolarHBondContact O-CA 3.31Å; I519-K538 HydrophobicContact CB-CB 4.09Å; I519-K538 PolarHBondContact N-O 3.1Å; I519-K538 PolarHBondContact O-N 2.88Å
520	I	98.1	Very high	91.7	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.1	169.3	-58.8	177.6	0	0	0	107.3	L399 I403 T434 W435 I437 I446 F518 L535	L399-I520 HydrophobicContact CD2-CG2 4.43Å; I403-I520 HydrophobicContact CD1-CD1 3.85Å; I403-I520 HydrophobicContact CD1-CG2 4.38Å; I403-I520 HydrophobicContact CG1-CD1 4.19Å; T434-I520 WeakPolarHBondContact CA-O 3.5Å; W435-I520 PolarHBondContact N-O 2.98Å; W435-I520 PolarHBondContact O-N 3.21Å; I437-I520 HydrophobicContact CD1-CD1 3.77Å; I437-I520 HydrophobicContact CD1-CG1 4.3Å; I446-I520 HydrophobicContact CG2-CD1 4.38Å; F518-I520 HydrophobicContact CD1-CG1 4.15Å; F518-I520 HydrophobicContact CE1-CD1 4.3Å; F518-I520 HydrophobicContact CE1-CG1 3.93Å; I520-L535 HydrophobicContact CG2-CD1 3.59Å
521	E	97.8	Very high	92.6	Very high	9 Å²	9	67.1 Å²	67.1	4%	0.042	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.8	174.2	-58.6	176.7	135.5	0	0	109.9	K432 Y433 T434 I519 L535 R536 K538	K432-E521 HydrophobicContact CD-CB 4.39Å; K432-E521 HydrophobicContact CD-CG 4.45Å; K432-E521 HydrophobicContact CG-CB 4.4Å; K432-E521 IonicContact NZ-OE1 3.48Å; K432-E521 PolarHBondContact NZ-OE1 3.49Å; Y433-E521 CarbonylContact O-C 3.57Å; Y433-E521 VanDerWaalsContact O-CA 3.27Å; Y433-E521 WeakPolarHBondContact O-CA 3.45Å; T434-E521 HydrophobicContact CG2-CG 4.02Å; I519-E521 HydrophobicContact CG2-CG 3.95Å; E521-L535 CarbonylContact O-C 3.49Å; E521-L535 WeakPolarHBondContact O-CA 3.48Å; E521-R536 HydrophobicContact CB-CB 4.15Å; E521-R536 PolarHBondContact N-O 2.84Å; E521-R536 PolarHBondContact O-N 2.98Å; E521-K538 IonicContact OE1-NZ 3.76Å; E521-K538 PolarHBondContact OE1-NZ 2.88Å; E521-K538 WeakPolarHBondContact OE2-CE 3.16Å; E521-K538 IonicContact OE2-NZ 3.22Å; E521-K538 PolarHBondContact OE2-NZ 3.11Å
522	W	97.5	Very high	93.3	Very high	4 Å²	4	62 Å²	62	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.6	176.5	178	-116.5	0	0	0	111.1	I391 Q393 F396 Y433 W435 P524 G533 L535	I391-W522 HydrophobicContact CD1-CH2 4.43Å; I391-W522 HydrophobicContact CD1-CZ3 3.95Å; I391-W522 HydrophobicContact CG1-CH2 3.83Å; I391-W522 HydrophobicContact CG1-CZ3 3.53Å; Q393-W522 VanDerWaalsContact OE1-CZ2 3.29Å; F396-W522 HydrophobicContact CB-CD2 4Å; F396-W522 HydrophobicContact CB-CE3 4.09Å; F396-W522 HydrophobicContact CB-CH2 3.75Å; F396-W522 HydrophobicContact CB-CZ2 3.67Å; F396-W522 HydrophobicContact CB-CZ3 3.99Å; F396-W522 AromaticContact CD1-CD1 3.52Å; F396-W522 AromaticContact CD1-CD2 3.75Å; F396-W522 HydrophobicContact CD1-CD2 3.75Å; F396-W522 AromaticContact CD1-CE2 3.6Å; F396-W522 AromaticContact CD1-CG 3.71Å; F396-W522 HydrophobicContact CD1-CG 3.71Å; F396-W522 HydrophobicContact CD1-CZ2 4.28Å; F396-W522 AromaticContact CD1-NE1 3.44Å; F396-W522 HydrophobicContact CD2-CB 4.01Å; F396-W522 AromaticContact CD2-CD2 3.48Å; F396-W522 HydrophobicContact CD2-CD2 3.48Å; F396-W522 VanDerWaalsContact CD2-CD2 3.48Å; F396-W522 AromaticContact CD2-CE3 3.59Å; F396-W522 HydrophobicContact CD2-CE3 3.59Å; F396-W522 AromaticContact CD2-CG 3.69Å; F396-W522 HydrophobicContact CD2-CG 3.69Å; F396-W522 HydrophobicContact CD2-CZ3 4.26Å; F396-W522 HydrophobicContact CE1-CB 4.03Å; F396-W522 AromaticContact CE1-CD1 3.36Å; F396-W522 HydrophobicContact CE1-CD2 4.12Å; F396-W522 AromaticContact CE1-CG 3.56Å; F396-W522 HydrophobicContact CE1-CG 3.56Å; F396-W522 AromaticContact CE1-NE1 3.8Å; F396-W522 HydrophobicContact CE2-CB 3.44Å; F396-W522 VanDerWaalsContact CE2-CB 3.44Å; F396-W522 AromaticContact CE2-CD2 3.9Å; F396-W522 HydrophobicContact CE2-CD2 3.9Å; F396-W522 HydrophobicContact CE2-CE3 4.23Å; F396-W522 AromaticContact CE2-CG 3.56Å; F396-W522 HydrophobicContact CE2-CG 3.56Å; F396-W522 AromaticContact CG-CD2 3.41Å; F396-W522 HydrophobicContact CG-CD2 3.41Å; F396-W522 VanDerWaalsContact CG-CD2 3.41Å; F396-W522 AromaticContact CG-CE2 3.5Å; F396-W522 AromaticContact CG-CE3 3.8Å; F396-W522 HydrophobicContact CG-CE3 3.8Å; F396-W522 AromaticContact CG-CG 3.76Å; F396-W522 HydrophobicContact CG-CG 3.76Å; F396-W522 HydrophobicContact CG-CH2 4.26Å; F396-W522 AromaticContact CG-CZ2 3.95Å; F396-W522 HydrophobicContact CG-CZ2 3.95Å; F396-W522 HydrophobicContact CG-CZ3 4.22Å; F396-W522 AromaticContact CG-NE1 3.87Å; F396-W522 HydrophobicContact CZ-CB 3.45Å; F396-W522 VanDerWaalsContact CZ-CB 3.45Å; F396-W522 AromaticContact CZ-CD1 3.76Å; F396-W522 HydrophobicContact CZ-CD2 4.2Å; F396-W522 AromaticContact CZ-CG 3.5Å; F396-W522 HydrophobicContact CZ-CG 3.5Å; F396-W522 VanDerWaalsContact CZ-CG 3.5Å; Y433-W522 AromaticContact CD2-CD1 4Å; Y433-W522 PolarHBondContact N-O 3.35Å; Y433-W522 PolarHBondContact O-N 3.48Å; W435-W522 HydrophobicContact CZ3-CB 3.93Å; W522-P524 HydrophobicContact CZ2-CB 4.46Å; W522-G533 VanDerWaalsContact CZ3-C 3.46Å; W522-L535 HydrophobicContact CE3-CB 3.94Å; W522-L535 HydrophobicContact CE3-CD1 4.25Å; W522-L535 HydrophobicContact CZ3-CB 4.03Å
523	I	96.3	Very high	93.8	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	108.7	168.8	-58.4	174.1	0	0	0	107.2	F419 F430 K432 I526 G533 E534	F419-I523 HydrophobicContact CD1-CD1 3.67Å; F419-I523 HydrophobicContact CE1-CD1 4.05Å; F419-I523 HydrophobicContact CG-CD1 4.24Å; F430-I523 HydrophobicContact CB-CG2 3.55Å; F430-I523 HydrophobicContact CD1-CG2 4.18Å; F430-I523 HydrophobicContact CG-CG2 4Å; K432-I523 HydrophobicContact CB-CD1 4.47Å; K432-I523 HydrophobicContact CB-CG1 4.01Å; K432-I523 HydrophobicContact CD-CD1 4.49Å; K432-I523 HydrophobicContact CG-CD1 4.36Å; K432-I523 HydrophobicContact CG-CG1 3.93Å; I523-I526 HydrophobicContact CB-CD1 4.24Å; I523-I526 HydrophobicContact CB-CG1 4.34Å; I523-I526 HydrophobicContact CG2-CD1 3.96Å; I523-I526 HydrophobicContact CG2-CG1 3.95Å; I523-G533 CarbonylContact O-C 3.45Å; I523-G533 WeakPolarHBondContact O-CA 3.41Å; I523-E534 HydrophobicContact CB-CB 4.49Å; I523-E534 PolarHBondContact N-O 3.47Å; I523-E534 PolarHBondContact O-N 3.24Å
524	P	94.8	Very high	94.4	Very high	24 Å²	24	50.4 Å²	50.4	16%	0.156	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	163	176.9	32.4	-35.6	0	0	0	111.2	S431 Y433 W522 I526	S431-P524 WeakPolarHBondContact O-CD 3.27Å; Y433-P524 HydrophobicContact CE2-CG 3.97Å; W522-P524 HydrophobicContact CZ2-CB 4.46Å; P524-I526 VanDerWaalsContact C-N 3.26Å; P524-I526 PolarHBondContact O-N 3.39Å; P524-I526 VanDerWaalsContact O-N 3.12Å
525	D	88	Confident	94.8	Very high	79 Å²	79	42.8 Å²	42.8	42%	0.422	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55	34.3	164.7	-52.4	-45	0	0	0	115.4	L527 P528	D525-L527 PolarHBondContact O-N 2.95Å; D525-P528 HydrophobicContact CB-CG 4.43Å; D525-P528 WeakPolarHBondContact O-CD 3.35Å; D525-P528 WeakPolarHBondContact O-CG 3.46Å
526	I	91.1	Very high	95.1	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.046	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	-36.5	167.5	-63.8	-123	0	0	0	109.6	P426 I523 P524 I532 E534	P426-I526 HydrophobicContact CG-CG2 3.84Å; P426-I526 WeakPolarHBondContact CG-O 3.14Å; I523-I526 HydrophobicContact CB-CD1 4.24Å; I523-I526 HydrophobicContact CB-CG1 4.34Å; I523-I526 HydrophobicContact CG2-CD1 3.96Å; I523-I526 HydrophobicContact CG2-CG1 3.95Å; P524-I526 VanDerWaalsContact C-N 3.26Å; P524-I526 PolarHBondContact O-N 3.39Å; P524-I526 VanDerWaalsContact O-N 3.12Å; I526-I532 PolarHBondContact N-O 3.18Å; I526-E534 HydrophobicContact CD1-CB 3.34Å; I526-E534 HydrophobicContact CD1-CG 4.19Å; I526-E534 HydrophobicContact CG1-CB 3.71Å
527	L	91.9	Very high	95.2	Very high	86 Å²	86	41.8 Å²	41.8	45%	0.45	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	94	167.2	-51.8	172.2	0	0	0	108.7	D525 Q529 S530 K531 I532	D525-L527 PolarHBondContact O-N 2.95Å; L527-Q529 PolarHBondContact O-N 3.35Å; L527-S530 WeakPolarHBondContact CB-OG 3.23Å; L527-S530 PolarHBondContact O-OG 2.73Å; L527-K531 PolarHBondContact O-N 2.83Å; L527-I532 HydrophobicContact CB-CB 4.1Å; L527-I532 HydrophobicContact CD1-CB 4.17Å; L527-I532 HydrophobicContact CD1-CD1 4.21Å; L527-I532 HydrophobicContact CD1-CG2 4.22Å; L527-I532 HydrophobicContact CG-CB 4.45Å; L527-I532 PolarHBondContact N-O 2.75Å; L527-I532 PolarHBondContact O-N 2.79Å
528	P	89.7	Confident	95.3	Very high	90 Å²	90	43.1 Å²	43.1	58%	0.584	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-37.8	-170.8	-25.4	33.4	0	0	0	114.5	D525 K531	D525-P528 HydrophobicContact CB-CG 4.43Å; D525-P528 WeakPolarHBondContact O-CD 3.35Å; D525-P528 WeakPolarHBondContact O-CG 3.46Å; P528-K531 PolarHBondContact O-N 3.39Å
529	Q	91.9	Very high	95.3	Very high	200 Å²	200	43.5 Å²	43.5	94%	0.935	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-43.2	-175.4	-66.3	-175.3	2.3	0	0	112.3	L527 K531	L527-Q529 PolarHBondContact O-N 3.35Å; Q529-K531 VanDerWaalsContact C-N 3.3Å
530	S	93.2	Very high	95.2	Very high	66 Å²	66	45.4 Å²	45.4	46%	0.462	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.5	176.7	54.5	0	0	0	0	113.2	L527 I532	L527-S530 WeakPolarHBondContact CB-OG 3.23Å; L527-S530 PolarHBondContact O-OG 2.73Å; S530-I532 VanDerWaalsContact C-N 3.28Å; S530-I532 PolarHBondContact O-N 2.82Å; S530-I532 WeakPolarHBondContact OG-CD1 3.46Å
531	K	94.7	Very high	95.1	Very high	139 Å²	139	45.5 Å²	45.5	60%	0.604	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	43	-176.2	-55	179.5	-179.9	179	0	112.2	P392 Q393 L527 P528 Q529	P392-K531 CarbonylContact C-O 3.57Å; Q393-K531 HydrophobicContact CB-CB 4.41Å; Q393-K531 PolarHBondContact N-O 3.3Å; L527-K531 PolarHBondContact O-N 2.83Å; P528-K531 PolarHBondContact O-N 3.39Å; Q529-K531 VanDerWaalsContact C-N 3.3Å
532	I	96.1	Very high	94.9	Very high	39 Å²	39	45.1 Å²	45.1	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.9	176.9	-65.1	173.9	0	0	0	108.8	H390 I391 I526 L527 S530	H390-I532 HydrophobicContact CB-CG2 3.9Å; I391-I532 WeakPolarHBondContact O-CA 3.24Å; I526-I532 PolarHBondContact N-O 3.18Å; L527-I532 HydrophobicContact CB-CB 4.1Å; L527-I532 HydrophobicContact CD1-CB 4.17Å; L527-I532 HydrophobicContact CD1-CD1 4.21Å; L527-I532 HydrophobicContact CD1-CG2 4.22Å; L527-I532 HydrophobicContact CG-CB 4.45Å; L527-I532 PolarHBondContact N-O 2.75Å; L527-I532 PolarHBondContact O-N 2.79Å; S530-I532 VanDerWaalsContact C-N 3.28Å; S530-I532 PolarHBondContact O-N 2.82Å; S530-I532 WeakPolarHBondContact OG-CD1 3.46Å
533	G	96.3	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	177.4	170.9	0	0	0	0	0	111.9	H390 I391 W522 I523	H390-G533 WeakPolarHBondContact CA-O 3.46Å; I391-G533 PolarHBondContact N-O 3.04Å; I391-G533 PolarHBondContact O-N 2.88Å; W522-G533 VanDerWaalsContact CZ3-C 3.46Å; I523-G533 CarbonylContact O-C 3.45Å; I523-G533 WeakPolarHBondContact O-CA 3.41Å
534	E	96.6	Very high	94.3	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.014	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.1	-178.8	-170.9	-172.3	96.7	0	0	109.3	V388 F389 H390 R421 I523 I526 R536	V388-E534 HydrophobicContact CG1-CG 3.57Å; F389-E534 WeakPolarHBondContact O-CA 3.1Å; H390-E534 IonicContact NE2-OE2 3.57Å; R421-E534 IonicContact CZ-OE2 3.91Å; R421-E534 IonicContact NH1-OE1 2.84Å; R421-E534 IonicContact NH1-OE2 2.98Å; R421-E534 PolarHBondContact NH1-OE2 3.33Å; R421-E534 IonicContact NH2-OE2 2.86Å; I523-E534 HydrophobicContact CB-CB 4.49Å; I523-E534 PolarHBondContact N-O 3.47Å; I523-E534 PolarHBondContact O-N 3.24Å; I526-E534 HydrophobicContact CD1-CB 3.34Å; I526-E534 HydrophobicContact CD1-CG 4.19Å; I526-E534 HydrophobicContact CG1-CB 3.71Å; E534-R536 IonicContact OE1-CZ 3.3Å; E534-R536 IonicContact OE1-NE 2.68Å; E534-R536 PolarHBondContact OE1-NE 2.85Å; E534-R536 IonicContact OE1-NH2 2.62Å; E534-R536 PolarHBondContact OE1-NH2 3.26Å; E534-R536 IonicContact OE2-NH2 3.41Å
535	L	98.1	Very high	93.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	126.7	173.7	-179.5	72.6	0	0	0	108.5	W364 V388 F389 I391 F396 L399 I520 E521 W522 I537	W364-L535 HydrophobicContact CH2-CD2 3.72Å; W364-L535 HydrophobicContact CZ2-CD2 3.88Å; V388-L535 WeakPolarHBondContact CA-O 3.44Å; F389-L535 HydrophobicContact CB-CB 4.38Å; F389-L535 HydrophobicContact CD2-CD2 4.48Å; F389-L535 PolarHBondContact N-O 2.86Å; F389-L535 PolarHBondContact O-N 3.15Å; I391-L535 HydrophobicContact CD1-CB 3.97Å; I391-L535 HydrophobicContact CD1-CD2 3.86Å; I391-L535 HydrophobicContact CD1-CG 4.45Å; I391-L535 HydrophobicContact CG1-CB 4.26Å; F396-L535 HydrophobicContact CD2-CD1 3.96Å; F396-L535 HydrophobicContact CE2-CD1 4.03Å; L399-L535 HydrophobicContact CD2-CD1 3.93Å; L399-L535 HydrophobicContact CD2-CD2 3.79Å; I520-L535 HydrophobicContact CG2-CD1 3.59Å; E521-L535 CarbonylContact O-C 3.49Å; E521-L535 WeakPolarHBondContact O-CA 3.48Å; W522-L535 HydrophobicContact CE3-CB 3.94Å; W522-L535 HydrophobicContact CE3-CD1 4.25Å; W522-L535 HydrophobicContact CZ3-CB 4.03Å; L535-I537 HydrophobicContact CD2-CD1 4.34Å; L535-I537 HydrophobicContact CD2-CG1 4.46Å; L535-I537 HydrophobicContact CG-CG1 4.41Å
536	R	97.8	Very high	93.2	Very high	57 Å²	57	52.8 Å²	52.8	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.4	170.5	-48.9	-175.3	176.6	-154.1	-3.3	110.8	L387 V388 E521 E534	L387-R536 CarbonylContact O-C 3.51Å; L387-R536 VanDerWaalsContact O-CA 3.28Å; L387-R536 WeakPolarHBondContact O-CA 3.13Å; V388-R536 HydrophobicContact CG1-CG 4.49Å; V388-R536 HydrophobicContact CG2-CG 4.17Å; E521-R536 HydrophobicContact CB-CB 4.15Å; E521-R536 PolarHBondContact N-O 2.84Å; E521-R536 PolarHBondContact O-N 2.98Å; E534-R536 IonicContact OE1-CZ 3.3Å; E534-R536 IonicContact OE1-NE 2.68Å; E534-R536 PolarHBondContact OE1-NE 2.85Å; E534-R536 IonicContact OE1-NH2 2.62Å; E534-R536 PolarHBondContact OE1-NH2 3.26Å; E534-R536 IonicContact OE2-NH2 3.41Å
537	I	98.1	Very high	92	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	121.4	175.7	-61.9	-179.8	0	0	0	108.1	V368 L387 F389 F518 I519 L535 F539	V368-I537 HydrophobicContact CG1-CD1 3.54Å; L387-I537 HydrophobicContact CB-CB 4.36Å; L387-I537 PolarHBondContact N-O 3.32Å; L387-I537 PolarHBondContact O-N 2.78Å; F389-I537 HydrophobicContact CE2-CD1 4.08Å; F389-I537 HydrophobicContact CE2-CG1 4.5Å; F518-I537 HydrophobicContact CE1-CG2 3.65Å; F518-I537 HydrophobicContact CE2-CG2 4.16Å; F518-I537 HydrophobicContact CZ-CG2 3.29Å; I519-I537 WeakPolarHBondContact O-CA 3.31Å; L535-I537 HydrophobicContact CD2-CD1 4.34Å; L535-I537 HydrophobicContact CD2-CG1 4.46Å; L535-I537 HydrophobicContact CG-CG1 4.41Å; I537-F539 HydrophobicContact CG2-CD1 4.13Å
538	K	98.2	Very high	90.9	Very high	65 Å²	65	57.9 Å²	57.9	28%	0.283	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.5	176.6	-47.3	176.2	172.3	162.4	0	109.8	P386 I519 E521	P386-K538 HydrophobicContact CB-CG 3.84Å; P386-K538 HydrophobicContact CG-CD 4.15Å; P386-K538 HydrophobicContact CG-CG 3.9Å; I519-K538 HydrophobicContact CB-CB 4.09Å; I519-K538 PolarHBondContact N-O 3.1Å; I519-K538 PolarHBondContact O-N 2.88Å; E521-K538 IonicContact OE1-NZ 3.76Å; E521-K538 PolarHBondContact OE1-NZ 2.88Å; E521-K538 WeakPolarHBondContact OE2-CE 3.16Å; E521-K538 IonicContact OE2-NZ 3.22Å; E521-K538 PolarHBondContact OE2-NZ 3.11Å
539	F	97.7	Very high	90	Very high	10 Å²	10	58.1 Å²	58.1	4%	0.044	29%	0.293	C	S	.	.			trans	-156.4	160.9	-179.9	64.9	-83.5	0	0	0	110.1	I372 T375 M376 P384 L387 L503 F518 I537 Y541	I372-F539 HydrophobicContact CB-CZ 4.37Å; I372-F539 HydrophobicContact CG1-CE1 4.06Å; I372-F539 HydrophobicContact CG1-CZ 4.34Å; I372-F539 HydrophobicContact CG2-CE1 4.36Å; I372-F539 HydrophobicContact CG2-CE2 4.18Å; I372-F539 HydrophobicContact CG2-CZ 3.93Å; T375-F539 HydrophobicContact CG2-CE2 4.49Å; T375-F539 HydrophobicContact CG2-CZ 3.79Å; M376-F539 HydrophobicContact CG-CE2 3.92Å; P384-F539 WeakPolarHBondContact CD-O 3.49Å; P384-F539 HydrophobicContact CG-CD2 4.39Å; P384-F539 HydrophobicContact CG-CE1 4.32Å; P384-F539 HydrophobicContact CG-CE2 3.96Å; P384-F539 HydrophobicContact CG-CZ 3.92Å; L387-F539 HydrophobicContact CD1-CE1 3.81Å; L387-F539 HydrophobicContact CD1-CZ 4.46Å; L387-F539 HydrophobicContact CG-CE1 4.16Å; L503-F539 HydrophobicContact CD2-CD2 3.46Å; L503-F539 VanDerWaalsContact CD2-CD2 3.46Å; L503-F539 HydrophobicContact CD2-CE2 3.97Å; L503-F539 HydrophobicContact CD2-CG 4.22Å; F518-F539 HydrophobicContact CD2-CB 3.47Å; F518-F539 VanDerWaalsContact CD2-CB 3.47Å; F518-F539 HydrophobicContact CD2-CG 4.35Å; F518-F539 HydrophobicContact CE2-CB 3.55Å; F518-F539 HydrophobicContact CE2-CD1 4.13Å; F518-F539 AromaticContact CE2-CG 3.95Å; F518-F539 HydrophobicContact CE2-CG 3.95Å; F518-F539 HydrophobicContact CG-CB 4.42Å; I537-F539 HydrophobicContact CG2-CD1 4.13Å; F539-Y541 HydrophobicContact CE2-CD1 4.1Å
540	E	96.5	Very high	88.8	Confident	70 Å²	70	49.8 Å²	49.8	33%	0.327	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	157.9	171.5	-62.9	-176.2	-167.8	0	0	109.6	G382 K383 K504 T516	G382-E540 CarbonylContact O-C 3.59Å; G382-E540 VanDerWaalsContact O-CA 3.29Å; G382-E540 WeakPolarHBondContact O-CA 2.91Å; K383-E540 HydrophobicContact CG-CG 4.3Å; K504-E540 HydrophobicContact CB-CB 4.26Å; K504-E540 HydrophobicContact CD-CB 4.44Å; K504-E540 PolarHBondContact N-O 3.48Å; T516-E540 HydrophobicContact CG2-CB 4.3Å; T516-E540 HydrophobicContact CG2-CG 4.45Å
541	Y	96	Very high	87.3	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	162.5	171.4	64.3	-89.6	0	0	0	111.8	T375 M376 H377 F380 G382 P384 T501 F502 K504 F539 H543	T375-Y541 VanDerWaalsContact O-CE1 3.24Å; T375-Y541 WeakPolarHBondContact O-CE1 3.21Å; T375-Y541 VanDerWaalsContact O-CZ 3.3Å; T375-Y541 PolarHBondContact O-OH 3.07Å; M376-Y541 HydrophobicContact CG-CD1 4.09Å; M376-Y541 HydrophobicContact CG-CG 4.24Å; H377-Y541 PolarHBondContact N-OH 3.01Å; H377-Y541 PolarHBondContact O-OH 2.93Å; F380-Y541 WeakPolarHBondContact CB-OH 3.23Å; G382-Y541 WeakPolarHBondContact CA-O 3.37Å; G382-Y541 PolarHBondContact O-N 3.44Å; P384-Y541 HydrophobicContact CG-CD1 4.48Å; P384-Y541 HydrophobicContact CG-CE1 4.2Å; T501-Y541 HydrophobicContact CG2-CD2 4.03Å; T501-Y541 HydrophobicContact CG2-CE2 3.94Å; F502-Y541 CarbonylContact O-C 3.49Å; F502-Y541 WeakPolarHBondContact O-CA 3.44Å; F502-Y541 WeakPolarHBondContact O-CB 3.46Å; K504-Y541 WeakPolarHBondContact CD-O 3.48Å; K504-Y541 WeakPolarHBondContact CE-O 3.5Å; K504-Y541 PolarHBondContact NZ-O 2.82Å; K504-Y541 VanDerWaalsContact NZ-O 3.1Å; F539-Y541 HydrophobicContact CE2-CD1 4.1Å; Y541-H543 AromaticContact CE2-CE1 3.82Å; Y541-H543 AromaticContact CE2-NE2 3.58Å
542	G	93.5	Very high	85.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	169.8	178.9	0	0	0	0	0	112.1	T501 F502	T501-G542 CarbonylContact C-O 3.6Å; T501-G542 WeakPolarHBondContact CA-O 3.42Å; F502-G542 WeakPolarHBondContact CD1-O 3.41Å; F502-G542 VanDerWaalsContact CE1-C 3.47Å; F502-G542 PolarHBondContact N-O 3.21Å; F502-G542 PolarHBondContact O-N 2.75Å
543	H	93.2	Very high	83.2	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.1	177.9	-59.9	87.9	0	0	0	109.2	Y378 F380 K500 Y541 V549 A550	Y378-H543 AromaticContact CD2-CD2 3.66Å; Y378-H543 HydrophobicContact CE2-CB 4.03Å; Y378-H543 AromaticContact CE2-CD2 3.77Å; Y378-H543 AromaticContact CG-CD2 4Å; Y378-H543 PolarHBondContact O-NE2 2.96Å; F380-H543 PolarHBondContact O-CE1 3.35Å; F380-H543 PolarHBondContact O-NE2 2.91Å; F380-H543 VanDerWaalsContact O-NE2 3.13Å; K500-H543 CarbonylContact O-C 3.49Å; K500-H543 WeakPolarHBondContact O-CA 3.39Å; Y541-H543 AromaticContact CE2-CE1 3.82Å; Y541-H543 AromaticContact CE2-NE2 3.58Å; H543-V549 WeakPolarHBondContact O-CA 3.05Å; H543-A550 HydrophobicContact CB-CB 4.26Å; H543-A550 PolarHBondContact O-N 2.79Å
544	H	88	Confident	80.5	Confident	51 Å²	51	61.7 Å²	61.7	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.4	163.9	-68.1	141.3	0	0	0	108.8	K500 F502 H548	K500-H544 HydrophobicContact CB-CB 4.22Å; K500-H544 PolarHBondContact N-O 3.42Å; K500-H544 PolarHBondContact O-N 3.3Å; F502-H544 AromaticContact CD1-CE1 3.32Å; F502-H544 WeakPolarHBondContact CD1-CE1 3.44Å; F502-H544 AromaticContact CD1-CG 3.91Å; F502-H544 AromaticContact CD1-ND1 3.45Å; F502-H544 WeakPolarHBondContact CD1-ND1 3.44Å; F502-H544 AromaticContact CD1-NE2 3.72Å; F502-H544 AromaticContact CE1-CD2 3.6Å; F502-H544 AromaticContact CE1-CE1 3.39Å; F502-H544 WeakPolarHBondContact CE1-CE1 3.36Å; F502-H544 AromaticContact CE1-CG 3.9Å; F502-H544 AromaticContact CE1-ND1 3.79Å; F502-H544 AromaticContact CE1-NE2 3.27Å; F502-H544 VanDerWaalsContact CE1-NE2 3.27Å; F502-H544 WeakPolarHBondContact CE1-NE2 3.44Å; F502-H544 AromaticContact CG-CE1 3.93Å; F502-H544 AromaticContact CZ-NE2 3.79Å; H544-H548 CarbonylContact C-O 3.56Å; H544-H548 VanDerWaalsContact CA-O 3.24Å; H544-H548 WeakPolarHBondContact CA-O 3.43Å
545	R	84.4	Confident	78.1	Confident	122 Å²	122	68.3 Å²	68.3	46%	0.46	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.9	169.3	-173.4	174.7	-177.9	-173.4	1.7	107.9	E498 L499 G547 H548 A550	E498-R545 WeakPolarHBondContact O-CA 3.45Å; L499-R545 HydrophobicContact CD2-CB 4.47Å; L499-R545 HydrophobicContact CD2-CG 3.95Å; R545-G547 PolarHBondContact O-N 2.83Å; R545-G547 VanDerWaalsContact O-N 3.15Å; R545-H548 PolarHBondContact N-O 2.82Å; R545-H548 PolarHBondContact O-N 3.11Å; R545-A550 HydrophobicContact CB-CB 3.95Å
546	N	74.9	Confident	75	Confident	89 Å²	89	77.9 Å²	77.9	48%	0.476	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	35.4	179.7	-59.6	-24.9	0	0	0	113.8	E498 H548	E498-N546 PolarHBondContact N-OD1 3.41Å; E498-N546 PolarHBondContact O-N 2.92Å; N546-H548 VanDerWaalsContact C-N 3.34Å; N546-H548 PolarHBondContact O-N 2.74Å
547	G	64.9	Low	71.9	Confident	58 Å²	58	80.3 Å²	80.3	60%	0.598	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-1.8	179.2	0	0	0	0	0	115.8	R545	R545-G547 PolarHBondContact O-N 2.83Å; R545-G547 VanDerWaalsContact O-N 3.15Å
548	H	70.3	Confident	68.7	Low	144 Å²	144	84.8 Å²	84.8	67%	0.667	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.5	143.2	173.1	-66.3	-82.9	0	0	0	111	H544 R545 N546 A550	H544-H548 CarbonylContact C-O 3.56Å; H544-H548 VanDerWaalsContact CA-O 3.24Å; H544-H548 WeakPolarHBondContact CA-O 3.43Å; R545-H548 PolarHBondContact N-O 2.82Å; R545-H548 PolarHBondContact O-N 3.11Å; N546-H548 VanDerWaalsContact C-N 3.34Å; N546-H548 PolarHBondContact O-N 2.74Å; H548-A550 PolarHBondContact O-N 3.13Å; H548-A550 VanDerWaalsContact O-N 3.14Å
549	V	70.8	Confident	66.1	Low	95 Å²	95	89.2 Å²	89.2	58%	0.576	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	115.6	169.9	-178.3	0	0	0	0	107.6	H543	H543-V549 WeakPolarHBondContact O-CA 3.05Å
550	A	66.7	Low	63.3	Low	26 Å²	26	96.1 Å²	96.1	22%	0.215	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.2	176.2	0	0	0	0	0	108.5	H543 R545 H548	H543-A550 HydrophobicContact CB-CB 4.26Å; H543-A550 PolarHBondContact O-N 2.79Å; R545-A550 HydrophobicContact CB-CB 3.95Å; H548-A550 PolarHBondContact O-N 3.13Å; H548-A550 VanDerWaalsContact O-N 3.14Å
551	E	61.4	Low	60.4	Low	180 Å²	180	101.3 Å²	101.3	84%	0.841	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-70.9	138.3	161.1	-68.9	-172.9	164.8	0	0	108.3	Q553	E551-Q553 PolarHBondContact O-N 3.4Å; E551-Q553 VanDerWaalsContact O-N 3.11Å
552	Y	53	Low	57.5	Low	94 Å²	94	107.4 Å²	107.4	37%	0.369	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-61.1	116.1	176.4	175.6	-94.8	0	0	0	108.5	Q379 D381 D554	Q379-Y552 WeakPolarHBondContact O-CE2 3.33Å; D381-Y552 HydrophobicContact CB-CD1 4.06Å; D381-Y552 HydrophobicContact CB-CD2 4.4Å; D381-Y552 HydrophobicContact CB-CE1 4.28Å; D381-Y552 HydrophobicContact CB-CG 4.13Å; Y552-D554 HydrophobicContact CD1-CB 4.49Å; Y552-D554 HydrophobicContact CE1-CB 3.77Å; Y552-D554 WeakPolarHBondContact CE1-OD1 3.5Å; Y552-D554 PolarHBondContact OH-OD1 3.29Å
553	Q	51.2	Low	54.7	Low	132 Å²	132	115.3 Å²	115.3	62%	0.617	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-93.3	118.9	167.5	-76.3	-178.6	-21.2	0	0	107.1	E551 H555	E551-Q553 PolarHBondContact O-N 3.4Å; E551-Q553 VanDerWaalsContact O-N 3.11Å; Q553-H555 PolarHBondContact O-N 3.14Å
554	D	40.3	Very low	51.9	Low	88 Å²	88	124.2 Å²	124.2	47%	0.471	65%	0.645	S	S	.	*			trans	-68.1	83.9	177.6	-157.4	25.1	0	0	0	108.9	Y552 R556	Y552-D554 HydrophobicContact CD1-CB 4.49Å; Y552-D554 HydrophobicContact CE1-CB 3.77Å; Y552-D554 WeakPolarHBondContact CE1-OD1 3.5Å; Y552-D554 PolarHBondContact OH-OD1 3.29Å; D554-R556 PolarHBondContact O-N 3.12Å; D554-R556 IonicContact OD2-CZ 2.83Å; D554-R556 IonicContact OD2-NE 3.55Å; D554-R556 PolarHBondContact OD2-NE 3.28Å; D554-R556 VanDerWaalsContact OD2-NE 3.15Å
555	H	45.4	Very low	49.6	Very low	142 Å²	142	129.6 Å²	129.6	66%	0.657	68%	0.675	S	S	*	*			trans	-79.6	71.9	168.2	-80.9	-24.6	0	0	0	108.5	Q553 P557	Q553-H555 PolarHBondContact O-N 3.14Å; H555-P557 WeakPolarHBondContact O-CD 3.42Å
556	R	31.8	Very low	47.4	Very low	200 Å²	200	128 Å²	128	76%	0.755	69%	0.688	S	S	*	*			trans	-66.9	119.1	152.4	-67.1	-177.1	-170	-161.3	-5.1	106.3	D554 A558	D554-R556 PolarHBondContact O-N 3.12Å; D554-R556 IonicContact OD2-CZ 2.83Å; D554-R556 IonicContact OD2-NE 3.55Å; D554-R556 PolarHBondContact OD2-NE 3.28Å; D554-R556 VanDerWaalsContact OD2-NE 3.15Å; R556-A558 PolarHBondContact O-N 2.82Å; R556-A558 VanDerWaalsContact O-N 3.15Å
557	P	33.8	Very low	45.6	Very low	108 Å²	108	129.7 Å²	129.7	70%	0.701	70%	0.704	S	S	*	*			trans	-59.6	123	162.2	24.6	-28.7	0	0	0	106.5	H555 L559	H555-P557 WeakPolarHBondContact O-CD 3.42Å; P557-L559 PolarHBondContact O-N 3.4Å
558	A	31.4	Very low	44.2	Very low	97 Å²	97	135.3 Å²	135.3	80%	0.802	72%	0.719	S	S	*	*			trans	-65.1	87.8	169.6	0	0	0	0	0	107.7	R556 D560	R556-A558 PolarHBondContact O-N 2.82Å; R556-A558 VanDerWaalsContact O-N 3.15Å; A558-D560 PolarHBondContact O-N 2.87Å
559	L	42.4	Very low	42.5	Very low	158 Å²	158	134.7 Å²	134.7	83%	0.827	73%	0.726	S	S	*	*			trans	-69.7	85	156.5	-96.7	157.7	0	0	0	105.8	P557	P557-L559 PolarHBondContact O-N 3.4Å
560	D	40.4	Very low	41.1	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	74%	0.736	S	S	*	*			trans	175.5	79.3	150.8	-87.2	-21.8	0	0	0	108.8	A558	A558-D560 PolarHBondContact O-N 2.87Å
561	Q	33.7	Very low	39.8	Very low	179 Å²	179	141.5 Å²	141.5	84%	0.836	76%	0.759	S	S	*	*			trans	-132.2	120.4	151	-98.5	177.6	3.2	0	0	107.4	L563	Q561-L563 PolarHBondContact O-N 3.29Å
562	P	35.2	Very low	38.7	Very low	130 Å²	130	138.8 Å²	138.8	84%	0.844	76%	0.755	S	S	*	*			trans	-64.9	124.5	172.9	-3.7	17.4	0	0	0	107.8	E564	P562-E564 PolarHBondContact O-N 2.89Å
563	L	36.3	Very low	37.8	Very low	166 Å²	166	142.9 Å²	142.9	87%	0.869	78%	0.775	S	S	*	*			trans	-64	99.7	167.8	-75.1	163.1	0	0	0	108.1	Q561 L565	Q561-L563 PolarHBondContact O-N 3.29Å; L563-L565 PolarHBondContact O-N 3.04Å; L563-L565 VanDerWaalsContact O-N 3.14Å
564	E	34.3	Very low	37.7	Very low	194 Å²	194	145.9 Å²	145.9	91%	0.907	81%	0.806	S	S	*	*			trans	-67.1	106	162.3	-114.8	-167.7	150.2	0	0	107.9	P562 A566	P562-E564 PolarHBondContact O-N 2.89Å; E564-A566 PolarHBondContact O-N 2.89Å
565	L	38.1	Very low	37.6	Very low	165 Å²	165	148.8 Å²	148.8	86%	0.864	82%	0.822	S	S	*	*			trans	-72	111.2	169.6	-74.7	161.8	0	0	0	108.3	L563	L563-L565 PolarHBondContact O-N 3.04Å; L563-L565 VanDerWaalsContact O-N 3.14Å
566	A	38.6	Very low	37.2	Very low	89 Å²	89	149.1 Å²	149.1	74%	0.736	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-66	138.1	167.5	0	0	0	0	0	110	E564	E564-A566 PolarHBondContact O-N 2.89Å
567	P	37.3	Very low	37.5	Very low	124 Å²	124	146.3 Å²	146.3	81%	0.805	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-73.1	135.4	-177.6	20.2	-17.6	0	0	0	111.4	T569	P567-T569 PolarHBondContact O-N 3.34Å
568	L	35.1	Very low	37.7	Very low	175 Å²	175	148.5 Å²	148.5	92%	0.916	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-59.5	118.5	175.7	-72.2	160.5	0	0	0	110.4	T570	L568-T570 PolarHBondContact O-N 3.41Å
569	T	36.4	Very low	38.1	Very low	131 Å²	131	151.8 Å²	151.8	80%	0.804	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-70.9	125	169	37.8	0	0	0	0	110.2	P567 I571	P567-T569 PolarHBondContact O-N 3.34Å; T569-I571 PolarHBondContact O-N 3.16Å
570	T	41.4	Very low	37.8	Very low	129 Å²	129	151.3 Å²	151.3	79%	0.791	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-62.1	118.4	173.2	-49.2	0	0	0	0	110.1	L568	L568-T570 PolarHBondContact O-N 3.41Å
571	I	39.4	Very low	37.6	Very low	135 Å²	135	151.1 Å²	151.1	69%	0.692	85%	0.848	S	S	*	*			trans	-90.6	114.4	167.4	-59.8	174.8	0	0	0	107.2	T569 F573	T569-I571 PolarHBondContact O-N 3.16Å; I571-F573 HydrophobicContact CG2-CD2 4.12Å; I571-F573 HydrophobicContact CG2-CE2 3.85Å; I571-F573 HydrophobicContact CG2-CZ 4.2Å
572	T	37.1	Very low	37.9	Very low	123 Å²	123	148.9 Å²	148.9	76%	0.755	85%	0.849	S	S	*	*			trans	-104.7	123.9	166.3	-17.9	0	0	0	0	107.5
573	F	34.1	Very low	38.2	Very low	180 Å²	180	150.5 Å²	150.5	79%	0.789	85%	0.85	S	S	*	*			trans	-87.9	141.2	175.4	-74.1	-90.3	0	0	0	110.5	I571	I571-F573 HydrophobicContact CG2-CD2 4.12Å; I571-F573 HydrophobicContact CG2-CE2 3.85Å; I571-F573 HydrophobicContact CG2-CZ 4.2Å
574	P	49.9	Very low	38.3	Very low	195 Å²	195	149.1 Å²	149.1	100%	1.266	85%	0.848	S	S	*	*			trans	-87.2	0	140.6	31.7	-27.4	0	0	0	111.9

Retrieved 574 of 574 residues in 947.4 ms (Link to these results)

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